data_2n64_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 2n64 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.542 ' O ' HG21 ' A' ' 609' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.746 0.307 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . 0.61 ' O ' HG22 ' A' ' 609' ' ' VAL . 12.0 pt20 -72.36 -37.59 68.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.66 -37.56 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.818 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.48 91.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.422 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 606' ' ' GLN . 2.6 m -67.5 -39.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.16 -37.57 85.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 111.756 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.481 ' HB2' HH22 ' B' ' 613' ' ' ARG . 2.5 mt-10 -72.68 -39.52 67.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' C' ' 612' ' ' LEU . 0.6 OUTLIER -67.84 -35.21 78.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.101 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.673 ' O ' ' HD2' ' A' ' 617' ' ' ARG . 2.9 mtt-85 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.025 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.43 -42.24 98.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.645 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.422 ' HB3' HG13 ' B' ' 616' ' ' VAL . 35.2 mt-30 -65.97 -37.37 85.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.63 ' HA ' HD13 ' A' ' 619' ' ' LEU . 1.0 OUTLIER -61.23 -45.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.673 ' HD2' ' O ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.69 -39.97 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.336 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.8 tp10 -60.06 -34.45 73.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 616' ' ' VAL . 10.7 mt -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.99 -36.32 76.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.41 -36.08 76.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 619' ' ' LEU . 54.2 mt -64.28 -43.02 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.623 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.575 HG21 HG22 ' C' ' 622' ' ' ILE . 16.4 mt -64.88 -41.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.33 71.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.238 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' THR . . . . . 0.407 HG21 ' NE2' ' A' ' 629' ' ' GLN . 2.2 m -62.21 -40.87 97.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.484 ' O ' ' HD3' ' A' ' 631' ' ' LYS . 39.0 tttp -65.0 -37.57 88.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -41.54 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.437 ' HB3' ' HZ2' ' B' ' 631' ' ' LYS . 1.4 mp0 -63.4 -46.82 84.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.547 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.0 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 -179.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.654 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 0.3 OUTLIER -65.15 -37.89 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.79 -47.53 84.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.964 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.685 ' HB3' HG23 ' B' ' 634' ' ' ILE . 8.1 mm-40 -60.17 -37.27 79.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.052 0.453 . . . . 0.0 111.872 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' C' ' 633' ' ' GLU . 11.4 mt -63.9 -40.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.069 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 1.1 mpmm? -63.1 -42.98 99.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.26 90.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.16 -44.2 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.4 ' CD2' ' HG ' ' C' ' 637' ' ' LEU . 11.9 mt -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.29 -40.12 93.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.8 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.77 -42.57 95.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.985 0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -33.29 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.788 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . 0.583 ' O ' ' HD2' ' A' ' 646' ' ' LYS . 14.3 m-20 -65.66 -49.13 69.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.565 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.487 ' HA ' ' HD2' ' A' ' 646' ' ' LYS . 3.3 mm-40 -63.36 -37.2 86.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.212 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -41.11 97.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -64.51 -34.18 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.583 ' HD2' ' O ' ' A' ' 642' ' ' ASP . 2.6 mttt -61.74 -41.65 97.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.28 -42.13 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.151 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 2.1 ttp-105 -61.19 -42.67 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 21.8 mt -59.12 -41.01 87.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 20.3 mtm180 -66.09 -37.57 86.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.462 ' HB2' HE21 ' B' ' 652' ' ' GLN . 26.9 tp -66.76 -36.94 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.464 HE21 ' HB2' ' C' ' 651' ' ' LEU . 4.1 mt-30 -62.06 -40.56 96.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 15.9 mtt -66.45 -38.69 87.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.267 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.74 -41.74 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.95 -33.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 111.247 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 48.5 m-20 -59.86 -38.55 82.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.51 -41.48 79.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.768 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.542 HG22 HD11 ' C' ' 658' ' ' ILE . 93.7 mt -67.08 -36.55 77.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.64 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.482 ' HE3' HD12 ' C' ' 658' ' ' ILE . 0.0 OUTLIER -65.94 -40.85 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.749 0.309 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 3.9 mtpt -55.77 -51.22 68.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.925 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.5 72.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.306 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -29.23 69.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.492 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.96 -22.18 23.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.542 ' O ' HG21 ' B' ' 609' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.794 0.331 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . 0.602 ' O ' HG22 ' B' ' 609' ' ' VAL . 12.1 pt20 -72.29 -37.75 68.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.45 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.45 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.602 HG22 ' O ' ' B' ' 606' ' ' GLN . 2.6 m -67.54 -39.9 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.21 -37.58 85.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.103 0.478 . . . . 0.0 111.725 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.475 ' HB2' HH22 ' C' ' 613' ' ' ARG . 2.5 mt-10 -72.65 -39.51 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.94 -35.09 77.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.078 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.673 ' O ' ' HD2' ' B' ' 617' ' ' ARG . 2.9 mtt-85 -62.25 -41.09 98.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.8 m -61.49 -42.22 98.46 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.664 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.425 ' HB3' HG13 ' C' ' 616' ' ' VAL . 35.2 mt-30 -66.01 -37.35 85.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.156 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.607 ' HA ' HD13 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -61.16 -45.65 98.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.673 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -67.72 -39.88 84.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.325 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.8 tp10 -60.13 -34.45 73.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' B' ' 616' ' ' VAL . 10.6 mt -65.98 -44.33 85.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.91 -36.25 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.0 p -69.43 -36.06 76.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' B' ' 619' ' ' LEU . 54.0 mt -64.4 -42.95 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.644 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.564 HG21 HG22 ' A' ' 622' ' ' ILE . 16.4 mt -64.91 -41.16 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -50.35 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 625' ' ' THR . . . . . 0.407 HG21 ' NE2' ' B' ' 629' ' ' GLN . 2.3 m -62.25 -40.76 97.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.6 90.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' B' ' 631' ' ' LYS . 39.1 tttp -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -41.47 81.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.43 ' HB3' ' HZ2' ' C' ' 631' ' ' LYS . 1.4 mp0 -63.49 -46.77 84.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.55 ' HG2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.04 -37.76 88.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.0 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.646 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 0.3 OUTLIER -65.18 -37.86 88.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.77 -47.51 84.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.958 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.707 ' HB3' HG23 ' C' ' 634' ' ' ILE . 8.1 mm-40 -60.11 -37.37 79.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.126 0.488 . . . . 0.0 111.888 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.685 HG23 ' HB3' ' A' ' 633' ' ' GLU . 11.4 mt -63.85 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.119 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.646 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -43.01 99.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.442 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -38.26 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 637' ' ' LEU . 0.8 OUTLIER -64.13 -44.25 92.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.55 -36.04 82.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.27 -40.11 93.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.801 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.73 -42.55 95.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.401 ' O ' ' HD3' ' B' ' 645' ' ' LYS . 0.3 OUTLIER -64.6 -33.3 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.751 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . 0.582 ' O ' ' HD2' ' B' ' 646' ' ' LYS . 14.3 m-20 -65.71 -49.19 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.463 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.498 ' HA ' ' HD2' ' B' ' 646' ' ' LYS . 3.3 mm-40 -63.28 -37.25 86.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.238 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -41.06 97.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' B' ' 641' ' ' LEU . 4.2 mtpt -64.55 -34.13 77.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.582 ' HD2' ' O ' ' B' ' 642' ' ' ASP . 2.6 mttt -61.67 -41.79 98.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.272 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.13 -42.19 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 111.219 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 2.2 ttp-105 -61.18 -42.71 99.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.97 -41.06 86.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 20.3 mtm180 -66.15 -37.55 85.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.465 ' HB2' HE21 ' C' ' 652' ' ' GLN . 26.7 tp -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.462 HE21 ' HB2' ' A' ' 651' ' ' LEU . 4.1 mt-30 -62.13 -40.58 96.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.157 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.41 -38.65 87.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 111.291 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.78 -41.67 98.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.99 -33.87 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 111.203 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . 0.407 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 49.1 m-20 -59.81 -38.54 82.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.56 -41.38 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.532 HG22 HD11 ' A' ' 658' ' ' ILE . 93.4 mt -67.09 -36.6 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.676 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.484 ' HE3' HD12 ' A' ' 658' ' ' ILE . 0.0 OUTLIER -65.89 -40.88 91.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.049 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 3.9 mtpt -55.79 -51.2 68.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.59 72.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.444 ' HA ' HD21 ' B' ' 662' ' ' LEU . 0.2 OUTLIER -66.14 -29.23 69.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.491 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.94 -22.23 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.547 ' O ' HG21 ' C' ' 609' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . 0.603 ' O ' HG22 ' C' ' 609' ' ' VAL . 12.1 pt20 -72.29 -37.62 68.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.48 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.55 91.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.463 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.603 HG22 ' O ' ' C' ' 606' ' ' GLN . 2.6 m -67.44 -39.94 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.614 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.08 -37.69 85.98 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.182 0.515 . . . . 0.0 111.788 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.486 ' HB2' HH22 ' A' ' 613' ' ' ARG . 2.5 mt-10 -72.6 -39.49 67.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.9 -35.17 78.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.084 -179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.676 ' O ' ' HD2' ' C' ' 617' ' ' ARG . 3.0 mtt-85 -62.12 -41.13 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.51 -42.24 98.51 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.633 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.401 ' HB3' HG13 ' A' ' 616' ' ' VAL . 35.2 mt-30 -65.92 -37.46 86.12 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 111.131 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.615 ' HA ' HD13 ' C' ' 619' ' ' LEU . 1.0 OUTLIER -61.12 -45.59 98.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.73 -39.94 84.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.334 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.8 tp10 -59.98 -34.51 73.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' C' ' 616' ' ' VAL . 10.7 mt -66.05 -44.26 85.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.9 -36.3 76.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.42 -36.07 76.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' C' ' 619' ' ' LEU . 53.8 mt -64.37 -42.99 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.585 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.567 HG21 HG22 ' B' ' 622' ' ' ILE . 16.6 mt -64.89 -41.17 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.204 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -50.35 71.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.244 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 625' ' ' THR . . . . . 0.4 HG21 ' NE2' ' C' ' 629' ' ' GLN . 2.2 m -62.24 -40.82 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.017 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.56 89.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' C' ' 631' ' ' LYS . 39.0 tttp -64.97 -37.46 87.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -41.46 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.425 ' HB3' ' HZ2' ' A' ' 631' ' ' LYS . 1.4 mp0 -63.51 -46.78 84.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.55 ' HB3' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -64.95 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.657 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 0.3 OUTLIER -65.1 -37.96 89.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.76 -47.45 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.013 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.694 ' HB3' HG23 ' A' ' 634' ' ' ILE . 8.1 mm-40 -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.074 0.464 . . . . 0.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.707 HG23 ' HB3' ' B' ' 633' ' ' GLU . 11.4 mt -63.8 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.09 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -42.94 99.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.479 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.2 90.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.946 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.514 ' HB3' ' CD2' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.2 -44.24 92.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.55 -36.1 82.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.22 -40.08 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.81 -42.61 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.006 0.432 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -64.51 -33.31 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.777 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . 0.592 ' O ' ' HD2' ' C' ' 646' ' ' LYS . 14.3 m-20 -65.7 -49.13 69.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.543 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.482 ' HA ' ' HD2' ' C' ' 646' ' ' LYS . 3.3 mm-40 -63.31 -37.26 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.216 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.07 97.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' C' ' 641' ' ' LEU . 4.2 mtpt -64.6 -34.14 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' C' ' 642' ' ' ASP . 2.6 mttt -61.77 -41.64 97.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 9.5 mt -69.16 -42.15 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.089 0.471 . . . . 0.0 111.209 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.406 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 2.2 ttp-105 -61.28 -42.63 98.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.08 -41.03 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.743 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 20.3 mtm180 -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.737 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.464 ' HB2' HE21 ' A' ' 652' ' ' GLN . 26.6 tp -66.75 -36.92 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.799 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.465 HE21 ' HB2' ' B' ' 651' ' ' LEU . 4.1 mt-30 -62.17 -40.43 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.184 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.55 -38.61 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.272 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.72 -41.71 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.0 -33.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.955 0.407 . . . . 0.0 111.175 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -59.88 -38.45 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.58 -41.46 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.542 HD11 HG22 ' A' ' 658' ' ' ILE . 93.6 mt -66.99 -36.67 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.604 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.465 ' HE3' HD12 ' B' ' 658' ' ' ILE . 0.0 OUTLIER -65.85 -40.85 92.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 111.072 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -55.84 -51.25 68.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.362 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -29.21 69.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -89.05 -22.13 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.41 146.97 48.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.505 ' HG2' ' OXT' ' C' ' 665' ' ' LYS . 8.3 tttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . 0.466 ' HA ' HG21 ' A' ' 609' ' ' VAL . 1.4 mm-40 -66.11 -35.67 81.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.04 93.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.73 99.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.491 HG12 HG23 ' C' ' 609' ' ' VAL . 0.5 OUTLIER -62.29 -32.19 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.551 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.74 -39.76 66.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.158 0.504 . . . . 0.0 111.8 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.74 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.47 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' B' ' 613' ' ' ARG . 0.8 OUTLIER -63.14 -40.33 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.705 ' HA ' HD23 ' C' ' 612' ' ' LEU . 3.3 ttm105 -60.47 -41.32 93.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -44.53 96.79 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.668 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -70.0 -41.27 74.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.72 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -45.09 94.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.3 tm-20 -68.51 -33.01 73.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.602 HD21 ' HG3' ' B' ' 620' ' ' ARG . 2.4 mt -66.41 -36.23 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.622 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.5 OUTLIER -63.36 -44.15 95.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.32 -33.43 75.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.546 HG21 ' SD ' ' A' ' 626' ' ' MET . 71.3 mt -66.39 -44.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.665 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 619' ' ' LEU . 5.4 mt -62.58 -42.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.216 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -49.25 77.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.29 -35.28 76.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.992 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.555 ' HG2' ' HG3' ' B' ' 627' ' ' LYS . 4.1 mtt -66.96 -37.18 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.558 ' HG3' ' HG2' ' C' ' 626' ' ' MET . 1.0 OUTLIER -68.81 -30.52 69.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.067 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -51.59 22.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.041 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.406 ' HG3' ' HZ1' ' B' ' 631' ' ' LYS . 28.8 tp60 -61.98 -36.5 81.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.609 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.83 -45.46 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.499 ' HE2' ' OE2' ' C' ' 633' ' ' GLU . 0.1 OUTLIER -67.45 -36.25 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -64.24 -47.45 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.985 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.555 ' HB3' HG21 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -59.91 -44.15 94.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 111.898 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' C' ' 633' ' ' GLU . 87.4 mt -63.13 -41.52 93.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.453 ' HA ' ' CE ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -60.28 -43.48 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.383 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.91 -39.91 87.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.528 HD11 HG23 ' B' ' 634' ' ' ILE . 2.5 mt -62.8 -35.27 79.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -46.42 79.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -39.12 91.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.756 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -43.31 98.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.007 0.432 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.422 HD22 ' HE2' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.809 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.27 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.476 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.435 ' HG2' HD11 ' A' ' 647' ' ' ILE . 53.9 tt0 -65.35 -42.59 92.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.4 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.422 ' HE2' HD22 ' A' ' 641' ' ' LEU . 43.4 mttm -61.22 -44.39 97.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.435 HD11 ' HG2' ' A' ' 643' ' ' GLU . 7.7 mt -66.81 -41.93 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 111.279 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 648' ' ' ARG . 0.9 OUTLIER -66.53 -36.52 82.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.017 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.55 -43.86 96.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.18 -33.35 75.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.68 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.531 HD23 HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -62.32 -46.59 88.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.94 79.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.19 -43.13 96.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.332 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.64 -45.0 95.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.561 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 658' ' ' ILE . 16.2 t -61.2 -35.08 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.405 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 2.4 t30 -65.14 -41.62 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.12 -49.72 73.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.733 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.653 ' HB ' ' HZ3' ' B' ' 659' ' ' LYS . 4.9 tt -64.16 -38.94 83.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.674 ' HZ3' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -63.23 -37.78 88.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.096 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 0.3 OUTLIER -64.08 -35.64 81.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.99 -43.37 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -35.92 80.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.51 -27.98 41.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.79 0.329 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . 0.483 ' HA ' HG21 ' B' ' 609' ' ' VAL . 1.4 mm-40 -66.23 -35.63 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.09 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.7 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' B' ' 606' ' ' GLN . 0.5 OUTLIER -62.31 -32.14 53.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.71 -39.85 66.64 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.2 0.524 . . . . 0.0 111.775 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -44.72 95.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.485 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.73 HD23 ' HA ' ' C' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.36 97.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.705 ' HA ' HD23 ' A' ' 612' ' ' LEU . 3.3 ttm105 -60.35 -41.3 93.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -44.64 96.56 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.6 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.92 -41.28 74.84 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.997 0.427 . . . . 0.0 111.157 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.71 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -45.04 95.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.292 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.456 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.3 tm-20 -68.7 -32.88 73.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.618 HD21 ' HG3' ' C' ' 620' ' ' ARG . 2.4 mt -66.4 -36.3 82.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.602 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.5 OUTLIER -63.4 -44.13 95.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.2 p -65.28 -33.44 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.547 HG21 ' SD ' ' B' ' 626' ' ' MET . 71.2 mt -66.22 -45.11 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 111.617 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 619' ' ' LEU . 5.3 mt -62.47 -42.66 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.231 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -49.18 77.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.3 -35.29 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.556 ' HG2' ' HG3' ' C' ' 627' ' ' LYS . 4.1 mtt -67.04 -37.05 83.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.555 ' HG3' ' HG2' ' A' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.49 69.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -51.6 22.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.411 ' HG3' ' HZ1' ' C' ' 631' ' ' LYS . 28.9 tp60 -62.09 -36.4 81.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.84 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.609 ' HG2' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -66.91 -45.44 77.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.505 ' HE2' ' OE2' ' A' ' 633' ' ' GLU . 0.1 OUTLIER -67.47 -36.26 80.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -47.46 79.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.561 ' HB3' HG21 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -59.87 -44.28 94.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 0.0 111.879 -178.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 633' ' ' GLU . 86.9 mt -63.05 -41.55 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.124 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -60.25 -43.46 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.441 -179.52 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -40.0 87.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.943 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.52 HD11 HG23 ' C' ' 634' ' ' ILE . 2.5 mt -62.8 -35.22 79.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -46.52 79.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.19 91.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.776 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.3 98.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.427 HD22 ' HE2' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -66.71 -34.33 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.736 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.5 -42.24 98.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.52 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' B' ' 647' ' ' ILE . 53.8 tt0 -65.35 -42.65 92.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -42.34 92.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.427 ' HE2' HD22 ' B' ' 641' ' ' LEU . 43.4 mttm -61.15 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -43.53 98.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.427 HD11 ' HG2' ' B' ' 643' ' ' GLU . 7.8 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 111.196 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -36.4 82.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.96 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -64.13 -33.32 75.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.679 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.536 HD23 HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -62.4 -46.65 87.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.653 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -38.04 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.195 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.24 -43.07 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.6 -45.09 95.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.594 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.656 ' O ' HG22 ' B' ' 658' ' ' ILE . 16.1 t -61.11 -35.09 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.264 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . 0.407 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 2.4 t30 -65.1 -41.66 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.14 -49.65 73.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.761 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.656 HG22 ' O ' ' B' ' 655' ' ' VAL . 4.9 tt -64.25 -38.88 83.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.634 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.653 ' HZ3' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -63.31 -37.72 88.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.81 0.338 . . . . 0.0 111.046 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 0.3 OUTLIER -64.04 -35.71 81.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.71 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -76.01 -43.34 44.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -35.84 80.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.58 -28.0 41.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . 0.48 ' HA ' HG21 ' C' ' 609' ' ' VAL . 1.4 mm-40 -66.06 -35.71 81.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.12 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.84 99.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.451 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.491 HG23 HG12 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -62.23 -32.13 53.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.647 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.72 -39.79 66.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 111.837 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.74 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.451 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' A' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.38 97.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.09 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.73 ' HA ' HD23 ' B' ' 612' ' ' LEU . 3.3 ttm105 -60.41 -41.34 93.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.55 96.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.583 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.97 -41.29 74.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.165 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.76 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.09 94.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.289 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.442 ' O ' HG13 ' C' ' 622' ' ' ILE . 1.3 tm-20 -68.49 -33.02 73.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.622 HD21 ' HG3' ' A' ' 620' ' ' ARG . 2.4 mt -66.4 -36.23 82.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.019 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.618 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.5 OUTLIER -63.46 -44.08 95.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.26 -33.43 75.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.544 HG21 ' SD ' ' C' ' 626' ' ' MET . 71.0 mt -66.36 -45.02 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.031 0.443 . . . . 0.0 111.618 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 619' ' ' LEU . 5.3 mt -62.4 -42.76 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -49.2 77.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.258 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 20.6 m -61.28 -35.29 76.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.978 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.558 ' HG2' ' HG3' ' A' ' 627' ' ' LYS . 4.1 mtt -66.99 -37.09 83.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.556 ' HG3' ' HG2' ' B' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.48 69.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -51.54 23.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.403 ' HG3' ' HZ1' ' A' ' 631' ' ' LYS . 28.7 tp60 -62.06 -36.47 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.796 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.608 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.93 -45.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.507 ' HE2' ' OE2' ' B' ' 633' ' ' GLU . 0.1 OUTLIER -67.48 -36.28 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.4 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.023 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.568 ' HB3' HG21 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -59.89 -44.28 94.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 111.853 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.561 HG21 ' HB3' ' B' ' 633' ' ' GLU . 87.1 mt -63.04 -41.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.136 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -60.2 -43.49 95.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.476 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -39.99 87.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.005 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.534 HD11 HG23 ' A' ' 634' ' ' ILE . 2.5 mt -62.75 -35.21 79.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.753 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -46.52 79.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.07 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -43.35 97.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.423 HD22 ' HE2' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -66.51 -34.41 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.425 ' HG2' HD11 ' C' ' 647' ' ' ILE . 53.9 tt0 -65.25 -42.7 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.26 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -42.45 92.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.423 ' HE2' HD22 ' C' ' 641' ' ' LEU . 43.5 mttm -61.15 -44.45 97.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.29 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.425 HD11 ' HG2' ' C' ' 643' ' ' GLU . 7.7 mt -66.86 -42.0 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.059 0.457 . . . . 0.0 111.208 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.52 -36.45 82.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.065 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.92 96.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.13 -33.3 75.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.547 HD23 HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -62.39 -46.63 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.689 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.93 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.16 -43.15 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 111.33 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.63 -45.04 95.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.651 ' O ' HG22 ' C' ' 658' ' ' ILE . 16.1 t -61.18 -35.02 62.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.027 0.442 . . . . 0.0 111.25 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' C' ' 660' ' ' LYS . 2.4 t30 -65.11 -41.71 94.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.19 -49.62 73.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.734 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.674 ' HB ' ' HZ3' ' A' ' 659' ' ' LYS . 5.0 tt -64.21 -38.88 83.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.695 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.645 ' HZ3' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -63.32 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' C' ' 656' ' ' ASN . 0.3 OUTLIER -64.1 -35.58 81.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -75.99 -43.42 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -35.82 80.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.548 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.54 -28.03 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -54.19 19.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 35.7 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.527 ' O ' HG21 ' A' ' 609' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.72 0.295 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . 0.506 ' O ' HG22 ' A' ' 609' ' ' VAL . 8.4 pt20 -64.45 -34.31 77.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.23 64.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.58 89.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.434 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 605' ' ' SER . 4.7 m -66.36 -41.73 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 5.8 tt0 -61.52 -38.39 87.2 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.763 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.53 ' HB2' HH22 ' B' ' 613' ' ' ARG . 10.2 mm-40 -67.66 -35.54 79.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' C' ' 612' ' ' LEU . 4.0 mt -70.23 -42.01 72.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.538 HH22 ' HB2' ' C' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.77 73.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.992 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 8.8 m -57.77 -44.13 85.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -63.05 -35.84 81.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.149 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.37 -45.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -37.66 88.25 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 622' ' ' ILE . 14.8 tp10 -65.35 -35.58 81.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.71 HD12 HD11 ' B' ' 619' ' ' LEU . 33.5 mt -66.19 -42.03 89.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 620' ' ' ARG . 3.5 ttm180 -62.17 -40.16 95.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.44 78.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.658 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 618' ' ' GLU . 73.2 mt -61.45 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.605 HG12 HG12 ' B' ' 623' ' ' ILE . 4.9 mt -63.75 -41.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.198 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.56 98.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 47.0 m -66.14 -36.21 82.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.422 ' HE1' HG22 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -62.07 -44.23 97.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.71 -39.95 91.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.87 -43.99 97.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.027 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.68 71.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.723 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.595 ' HG2' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -60.23 -40.79 91.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -37.52 82.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -45.39 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.967 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.545 ' HB3' HG23 ' B' ' 634' ' ' ILE . 2.2 mt-10 -64.16 -46.3 84.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.457 . . . . 0.0 111.894 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.537 HG23 ' HB3' ' C' ' 633' ' ' GLU . 61.1 mt -57.39 -37.21 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.047 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.443 ' HA ' HD13 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.53 -40.7 93.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.455 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -38.77 89.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' B' ' 637' ' ' LEU . 3.5 mt -64.57 -42.86 95.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 635' ' ' LYS . 9.8 mt -61.91 -39.49 92.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -39.9 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.63 -38.51 87.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 0.0 110.825 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.541 HD13 HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -65.99 -35.89 81.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.794 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . 0.557 ' HA ' ' HD3' ' A' ' 645' ' ' LYS . 0.5 OUTLIER -63.55 -39.87 95.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.512 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 646' ' ' LYS . 20.0 mm-40 -65.08 -42.44 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.251 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.531 ' HA ' HD13 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.16 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.557 ' HD3' ' HA ' ' A' ' 642' ' ' ASP . 10.2 mtpt -65.62 -37.75 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mttt -63.08 -41.38 99.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 644' ' ' GLU . 4.9 mt -68.22 -43.78 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.084 0.468 . . . . 0.0 111.205 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.438 ' NE ' HG23 ' C' ' 647' ' ' ILE . 2.9 ttp-105 -64.98 -33.74 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.061 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -44.83 85.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.26 -37.04 85.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.789 HD23 ' HG2' ' B' ' 652' ' ' GLN . 27.9 tp -61.97 -40.2 94.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.808 ' HG2' HD23 ' C' ' 651' ' ' LEU . 3.3 mt-30 -59.08 -43.81 91.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.172 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.289 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.404 ' HG2' ' HE3' ' B' ' 659' ' ' LYS . 6.2 mt-10 -66.32 -40.99 90.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.468 HG22 HG11 ' B' ' 655' ' ' VAL . 12.4 t -65.73 -45.83 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 111.224 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.534 ' O ' ' HG3' ' A' ' 660' ' ' LYS . 97.9 m-20 -55.35 -34.37 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . 0.469 ' HB3' ' HZ3' ' B' ' 659' ' ' LYS . 0.2 OUTLIER -64.56 -49.24 71.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.721 179.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.539 HG21 HG21 ' B' ' 658' ' ' ILE . 5.2 mt -64.74 -36.42 77.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.597 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.472 ' HZ3' ' HB3' ' C' ' 657' ' ' ASP . 4.3 ttmm -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 656' ' ' ASN . 43.3 mtpt -60.85 -43.41 98.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.553 ' HB3' HD12 ' B' ' 662' ' ' LEU . . . -66.25 -36.83 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.374 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' C' ' 661' ' ' ALA . 2.5 mm? -64.29 -38.2 90.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.07 -10.42 56.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.525 ' O ' HG21 ' B' ' 609' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.732 0.301 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . 0.501 ' O ' HG22 ' B' ' 609' ' ' VAL . 8.4 pt20 -64.66 -34.22 77.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.97 -43.97 64.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.815 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.525 HG21 ' O ' ' B' ' 605' ' ' SER . 4.7 m -66.36 -41.8 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 5.8 tt0 -61.45 -38.4 87.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.104 0.478 . . . . 0.0 111.783 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.522 ' HB2' HH22 ' C' ' 613' ' ' ARG . 10.2 mm-40 -67.67 -35.49 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.399 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.532 ' HB3' HD21 ' A' ' 612' ' ' LEU . 4.0 mt -70.36 -41.96 72.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.834 0.35 . . . . 0.0 111.075 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.53 HH22 ' HB2' ' A' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.73 73.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.7 m -57.74 -44.1 85.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.587 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -63.12 -35.78 81.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.184 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -37.71 88.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.618 ' O ' HG13 ' B' ' 622' ' ' ILE . 14.8 tp10 -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.723 HD12 HD11 ' C' ' 619' ' ' LEU . 33.4 mt -66.14 -42.14 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 620' ' ' ARG . 3.6 ttm180 -62.08 -40.12 94.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.71 -36.47 78.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 618' ' ' GLU . 72.9 mt -61.44 -48.49 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.605 HG12 HG12 ' A' ' 623' ' ' ILE . 4.9 mt -63.8 -41.77 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -43.59 98.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.275 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 46.8 m -66.15 -36.12 82.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.006 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.414 ' HE1' HG22 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -62.05 -44.21 97.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.93 -39.87 90.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.044 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.88 -43.98 97.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -44.67 71.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.599 ' HG2' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -60.15 -40.76 90.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.029 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.54 82.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.28 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.986 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.541 ' HB3' HG23 ' C' ' 634' ' ' ILE . 2.2 mt-10 -64.24 -46.26 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.087 0.47 . . . . 0.0 111.893 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 633' ' ' GLU . 60.4 mt -57.31 -37.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.453 ' HA ' HD13 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.5 -40.75 93.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.42 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.84 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.702 ' HB3' HD11 ' A' ' 637' ' ' LEU . 3.5 mt -64.49 -42.91 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -61.87 -39.48 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -39.89 86.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.823 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.66 -38.5 86.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.999 0.428 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.542 HD13 HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -65.92 -35.91 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.861 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' B' ' 645' ' ' LYS . 0.5 OUTLIER -63.48 -39.94 95.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.506 -179.456 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' B' ' 646' ' ' LYS . 20.0 mm-40 -65.14 -42.43 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.536 ' HA ' HD13 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.15 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.83 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' B' ' 642' ' ' ASP . 10.2 mtpt -65.64 -37.78 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.726 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' B' ' 643' ' ' GLU . 19.5 mttt -62.99 -41.5 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' B' ' 644' ' ' GLU . 5.0 mt -68.17 -43.78 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 111.234 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.437 ' NE ' HG23 ' A' ' 647' ' ' ILE . 2.9 ttp-105 -65.01 -33.68 76.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.077 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -44.79 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.24 -37.06 86.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.805 HD23 ' HG2' ' C' ' 652' ' ' GLN . 27.9 tp -62.0 -40.16 94.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.789 ' HG2' HD23 ' A' ' 651' ' ' LEU . 3.3 mt-30 -59.12 -43.84 91.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.084 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -36.13 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.276 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.417 ' HG2' ' HE3' ' C' ' 659' ' ' LYS . 6.3 mt-10 -66.22 -40.98 90.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 651' ' ' LEU . 12.8 t -65.91 -45.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' B' ' 660' ' ' LYS . 97.9 m-20 -55.26 -34.45 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . 0.471 ' HB3' ' HZ3' ' C' ' 659' ' ' LYS . 0.2 OUTLIER -64.55 -49.27 71.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 658' ' ' ILE . 5.2 mt -64.69 -36.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.688 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.469 ' HZ3' ' HB3' ' A' ' 657' ' ' ASP . 4.3 ttmm -67.08 -36.56 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.795 0.331 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' B' ' 656' ' ' ASN . 43.4 mtpt -60.8 -43.41 98.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' C' ' 662' ' ' LEU . . . -66.25 -36.86 84.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.31 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 661' ' ' ALA . 2.5 mm? -64.32 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -10.43 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.522 ' O ' HG21 ' C' ' 609' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . 0.514 ' O ' HG22 ' C' ' 609' ' ' VAL . 8.4 pt20 -64.52 -34.35 78.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.04 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.54 89.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.418 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.522 HG21 ' O ' ' C' ' 605' ' ' SER . 4.7 m -66.33 -41.75 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 5.9 tt0 -61.58 -38.36 87.25 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.199 0.523 . . . . 0.0 111.751 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.538 ' HB2' HH22 ' A' ' 613' ' ' ARG . 10.2 mm-40 -67.63 -35.53 79.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 612' ' ' LEU . 4.0 mt -70.26 -41.97 72.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.125 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.522 HH22 ' HB2' ' B' ' 611' ' ' GLU . 6.4 mtt-85 -54.63 -44.83 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 8.6 m -57.64 -44.06 85.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.702 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -63.2 -35.79 81.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 111.116 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 89.7 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -37.62 88.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.385 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.61 ' O ' HG13 ' C' ' 622' ' ' ILE . 14.8 tp10 -65.43 -35.52 81.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.723 HD11 HD12 ' B' ' 619' ' ' LEU . 33.2 mt -66.17 -42.06 89.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 620' ' ' ARG . 3.6 ttm180 -62.19 -40.12 95.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.5 78.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.61 HG13 ' O ' ' C' ' 618' ' ' GLU . 73.2 mt -61.42 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.637 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.605 HG12 HG12 ' B' ' 623' ' ' ILE . 4.8 mt -63.66 -41.88 94.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.23 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -43.66 98.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.3 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 46.5 m -66.06 -36.22 82.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -44.2 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.84 -39.82 91.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.9 -43.99 97.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -44.66 71.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.739 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.599 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -60.16 -40.84 91.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -37.46 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -45.34 94.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.88 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.537 ' HB3' HG23 ' A' ' 634' ' ' ILE . 2.2 mt-10 -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.894 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' B' ' 633' ' ' GLU . 60.7 mt -57.34 -37.27 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.118 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.43 -40.76 93.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.454 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -38.8 89.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.942 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.686 ' HB3' HD11 ' B' ' 637' ' ' LEU . 3.5 mt -64.54 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.79 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -61.89 -39.48 92.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -39.87 86.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.65 -38.48 86.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.542 HD13 HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -65.98 -35.88 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.808 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . 0.576 ' HA ' ' HD3' ' C' ' 645' ' ' LYS . 0.5 OUTLIER -63.58 -39.84 95.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.49 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.422 ' HA ' ' HE3' ' C' ' 646' ' ' LYS . 20.0 mm-40 -65.12 -42.46 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.253 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.553 ' HA ' HD13 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -61.72 -38.15 86.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.869 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' C' ' 642' ' ' ASP . 10.2 mtpt -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' C' ' 643' ' ' GLU . 19.5 mttt -63.14 -41.3 99.26 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' C' ' 644' ' ' GLU . 5.0 mt -68.29 -43.76 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.441 ' NE ' HG23 ' B' ' 647' ' ' ILE . 2.9 ttp-105 -65.04 -33.73 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -44.85 85.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 82.1 mtm-85 -65.25 -36.92 85.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.71 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.808 HD23 ' HG2' ' A' ' 652' ' ' GLN . 28.0 tp -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.805 ' HG2' HD23 ' B' ' 651' ' ' LEU . 3.4 mt-30 -59.11 -43.86 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -36.18 83.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.42 ' HG2' ' HE3' ' A' ' 659' ' ' LYS . 6.2 mt-10 -66.34 -40.97 90.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.469 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.464 HG23 ' O ' ' C' ' 651' ' ' LEU . 12.8 t -65.86 -45.76 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.218 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' C' ' 660' ' ' LYS . 97.9 m-20 -55.34 -34.37 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . 0.472 ' HB3' ' HZ3' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -64.5 -49.29 71.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.505 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 658' ' ' ILE . 5.2 mt -64.73 -36.32 77.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.717 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.471 ' HZ3' ' HB3' ' B' ' 657' ' ' ASP . 4.3 ttmm -67.12 -36.52 82.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' C' ' 656' ' ' ASN . 43.3 mtpt -60.84 -43.46 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . 0.569 ' HB3' HD12 ' A' ' 662' ' ' LEU . . . -66.12 -36.92 84.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.406 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' B' ' 661' ' ' ALA . 2.5 mm? -64.2 -38.27 90.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.04 -10.44 56.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p -79.35 153.39 29.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.062 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.0 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.59 -42.91 81.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.9 98.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.79 89.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.471 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 605' ' ' SER . 27.5 t -62.67 -39.52 85.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.9 -41.57 97.66 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.126 0.489 . . . . 0.0 111.796 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.18 -40.34 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.433 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 616' ' ' VAL . 11.0 mt -60.71 -44.09 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.404 ' HA ' HD23 ' C' ' 612' ' ' LEU . 3.9 ttm105 -59.26 -39.5 83.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -51.73 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.44 -35.8 81.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 111.127 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 612' ' ' LEU . 55.6 t -66.32 -50.28 69.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.379 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.403 ' HB3' HH22 ' B' ' 620' ' ' ARG . 0.2 OUTLIER -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.017 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' B' ' 620' ' ' ARG . 9.9 mt -70.57 -40.62 73.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.417 ' HA ' HD21 ' C' ' 619' ' ' LEU . 18.3 ttm-85 -63.83 -40.02 95.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.61 -42.29 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.659 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.557 ' O ' ' HG3' ' A' ' 626' ' ' MET . 11.9 mt -62.67 -43.14 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.592 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.424 ' CG2' ' SD ' ' C' ' 626' ' ' MET . 13.8 mt -60.77 -43.6 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -43.65 98.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -38.57 80.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 43.0 mtt -65.93 -38.48 88.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.45 ' HG3' ' HE3' ' C' ' 626' ' ' MET . 2.9 tmtm? -63.68 -45.15 91.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -66.96 -50.32 62.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -37.13 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.442 ' HZ3' ' HZ1' ' A' ' 627' ' ' LYS . 0.0 OUTLIER -62.02 -42.55 99.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.453 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mm-40 -65.84 -41.06 92.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.999 0.428 . . . . 0.0 111.809 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' C' ' 633' ' ' GLU . 39.9 mt -65.57 -41.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.121 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.82 99.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.512 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.4 mt -64.63 -43.45 93.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.515 ' HA ' HD21 ' C' ' 637' ' ' LEU . 0.2 OUTLIER -62.95 -44.64 95.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -45.49 94.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -40.37 96.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 645' ' ' LYS . 0.7 OUTLIER -62.92 -44.26 96.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.784 179.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . 0.48 ' HA ' ' HD2' ' A' ' 645' ' ' LYS . 0.9 OUTLIER -60.02 -41.54 92.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.509 -179.322 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -40.08 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.216 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.475 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.5 OUTLIER -63.72 -38.46 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.907 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 641' ' ' LEU . 15.7 mttm -61.44 -42.54 98.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.745 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -60.45 -44.95 95.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -179.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.431 HG12 HH21 ' A' ' 650' ' ' ARG . 3.5 mt -68.47 -42.47 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 111.185 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 4.5 ttm105 -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.038 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -43.01 99.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 13.3 mtm180 -63.34 -33.45 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.668 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -65.09 -44.3 89.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.785 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.621 ' HA ' HD23 ' C' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.63 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.171 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.34 97.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.308 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.71 -42.64 97.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.476 ' O ' HG22 ' A' ' 658' ' ' ILE . 23.0 t -64.19 -37.17 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.13 -40.98 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.45 -47.92 74.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.829 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.584 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 0.6 OUTLIER -65.51 -31.94 56.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.591 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -68.62 -39.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.56 -47.06 85.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.921 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.53 75.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.407 ' HG ' ' HZ2' ' C' ' 665' ' ' LYS . 1.1 tp -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -82.23 -27.51 32.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.535 ' O ' HG23 ' B' ' 609' ' ' VAL . 22.9 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.74 -42.86 81.19 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.02 97.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.788 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.81 89.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.445 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 605' ' ' SER . 27.4 t -62.66 -39.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.97 -41.58 97.5 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.189 0.519 . . . . 0.0 111.788 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.13 -40.38 97.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.42 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.635 ' O ' HG23 ' B' ' 616' ' ' VAL . 11.0 mt -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.127 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.412 ' HA ' HD23 ' A' ' 612' ' ' LEU . 3.9 ttm105 -59.29 -39.42 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.041 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -51.8 67.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.646 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 111.15 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 612' ' ' LEU . 55.0 t -66.26 -50.27 69.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.79 95.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.335 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.412 ' HB3' HH22 ' C' ' 620' ' ' ARG . 0.2 OUTLIER -62.66 -31.06 71.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' C' ' 620' ' ' ARG . 9.9 mt -70.54 -40.54 73.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.422 ' HA ' HD21 ' A' ' 619' ' ' LEU . 18.2 ttm-85 -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.6 -42.33 91.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.647 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.565 ' O ' ' HG3' ' B' ' 626' ' ' MET . 12.0 mt -62.69 -43.09 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.598 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.42 ' CG2' ' SD ' ' A' ' 626' ' ' MET . 13.8 mt -60.85 -43.52 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -43.73 98.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -38.53 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.043 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 42.9 mtt -65.85 -38.55 89.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.459 ' HG3' ' HE3' ' A' ' 626' ' ' MET . 2.9 tmtm? -63.69 -45.16 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.88 -30.98 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.93 -50.32 62.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -37.11 85.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.451 ' HZ3' ' HZ1' ' B' ' 627' ' ' LYS . 0.0 OUTLIER -61.98 -42.55 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.08 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.975 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.456 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mm-40 -65.8 -40.96 92.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.101 0.477 . . . . 0.0 111.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.1 mt -65.65 -41.93 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.112 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.85 99.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.392 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.48 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.4 mt -64.59 -43.54 93.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.495 ' HA ' HD21 ' A' ' 637' ' ' LEU . 0.2 OUTLIER -62.92 -44.53 95.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -45.52 94.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.773 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -40.43 96.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.012 0.434 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' B' ' 645' ' ' LYS . 0.7 OUTLIER -62.98 -44.29 96.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.728 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . 0.48 ' HA ' ' HD2' ' B' ' 645' ' ' LYS . 0.9 OUTLIER -59.94 -41.59 92.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -40.09 89.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.22 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.47 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.5 OUTLIER -63.76 -38.43 91.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.929 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' B' ' 641' ' ' LEU . 15.7 mttm -61.47 -42.48 98.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.76 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.577 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -60.5 -44.94 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.443 HG12 HH21 ' B' ' 650' ' ' ARG . 3.6 mt -68.47 -42.49 83.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.962 0.41 . . . . 0.0 111.165 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 4.5 ttm105 -60.35 -42.61 96.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.023 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 13.3 mtm180 -63.3 -33.44 75.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.733 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -65.06 -44.37 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.762 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.638 ' HA ' HD23 ' A' ' 651' ' ' LEU . 3.1 tt0 -64.14 -40.67 96.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.166 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -41.44 97.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.306 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.68 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 658' ' ' ILE . 23.1 t -64.27 -37.24 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.126 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.1 -40.93 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.759 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.58 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -31.95 56.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.732 -179.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.584 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -68.55 -39.64 80.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.111 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.71 -46.97 85.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.51 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 658' ' ' ILE . 1.1 tp -65.92 -34.96 79.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -82.25 -27.51 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.528 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.72 -42.83 81.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.04 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.83 89.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.492 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.528 HG23 ' O ' ' C' ' 605' ' ' SER . 27.0 t -62.61 -39.58 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.583 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.195 0.522 . . . . 0.0 111.812 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.06 -40.36 97.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.441 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.638 ' O ' HG23 ' C' ' 616' ' ' VAL . 11.0 mt -60.85 -43.93 97.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 111.161 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.404 ' HA ' HD23 ' B' ' 612' ' ' LEU . 3.9 ttm105 -59.31 -39.49 83.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.023 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.87 67.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.567 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 111.086 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.638 HG23 ' O ' ' C' ' 612' ' ' LEU . 55.3 t -66.24 -50.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -44.92 95.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.376 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.414 ' HB3' HH22 ' A' ' 620' ' ' ARG . 0.2 OUTLIER -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.999 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 620' ' ' ARG . 9.9 mt -70.49 -40.53 73.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.419 ' HA ' HD21 ' B' ' 619' ' ' LEU . 18.2 ttm-85 -64.04 -39.87 95.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.63 -42.31 91.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.629 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.553 ' O ' ' HG3' ' C' ' 626' ' ' MET . 11.9 mt -62.69 -43.08 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.63 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.416 ' CG2' ' SD ' ' B' ' 626' ' ' MET . 13.7 mt -60.88 -43.51 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.57 98.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.264 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -38.53 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 42.9 mtt -65.93 -38.39 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.46 ' HZ1' ' HZ3' ' C' ' 631' ' ' LYS . 2.9 tmtm? -63.7 -45.2 91.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.031 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.99 -30.87 69.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -67.04 -50.27 62.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -37.19 85.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.46 ' HZ3' ' HZ1' ' C' ' 627' ' ' LYS . 0.0 OUTLIER -61.96 -42.58 99.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.06 99.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.023 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.439 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.1 mm-40 -65.68 -41.09 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.0 mt -65.66 -41.85 91.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.125 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.5 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.4 mt -64.67 -43.44 93.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.512 ' HA ' HD21 ' B' ' 637' ' ' LEU . 0.2 OUTLIER -62.88 -44.65 95.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -45.46 94.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.769 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -40.44 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.982 0.42 . . . . 0.0 110.865 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.529 ' O ' ' HG3' ' C' ' 645' ' ' LYS . 0.7 OUTLIER -62.88 -44.29 96.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.822 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . 0.496 ' HA ' ' HD2' ' C' ' 645' ' ' LYS . 0.9 OUTLIER -59.97 -41.58 92.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.538 -179.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -40.11 89.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.254 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.473 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.5 OUTLIER -63.75 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' C' ' 641' ' ' LEU . 15.6 mttm -61.43 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.699 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.572 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -60.52 -44.95 95.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.439 HG12 HH21 ' C' ' 650' ' ' ARG . 3.5 mt -68.47 -42.52 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 111.216 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 4.5 ttm105 -60.33 -42.55 95.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.063 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 13.3 mtm180 -63.32 -33.46 75.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.661 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -65.16 -44.28 89.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.755 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.632 ' HA ' HD23 ' B' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.61 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.186 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.43 97.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.67 -42.6 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.477 ' O ' HG22 ' C' ' 658' ' ' ILE . 23.0 t -64.21 -37.14 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.209 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.08 -41.02 99.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.42 -48.04 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.591 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -32.07 56.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.634 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.58 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -68.51 -39.69 81.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.022 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.67 -46.99 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.5 75.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.359 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.98 -34.96 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -82.18 -27.48 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -52.57 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.72 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . 0.489 HE21 ' HA ' ' A' ' 606' ' ' GLN . 0.5 OUTLIER -62.31 -34.08 75.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.64 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.27 90.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.502 HG11 ' CD1' ' C' ' 612' ' ' LEU . 38.8 t -62.34 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.82 -44.99 91.01 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.154 0.502 . . . . 0.0 111.738 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -42.48 94.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.41 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 616' ' ' VAL . 5.1 mt -63.54 -37.42 87.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.109 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.489 ' HA ' HD21 ' C' ' 612' ' ' LEU . 6.0 ttm105 -64.29 -36.15 83.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.024 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -41.83 84.71 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.697 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.01 -36.26 79.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.977 0.418 . . . . 0.0 111.164 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 612' ' ' LEU . 71.8 t -67.99 -47.29 79.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -45.03 91.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.312 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.0 OUTLIER -65.49 -41.94 92.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.92 -40.89 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -44.62 89.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -33.1 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.595 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 618' ' ' GLU . 83.6 mt -70.75 -36.29 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.563 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.579 HD12 HD11 ' B' ' 623' ' ' ILE . 5.2 mt -71.0 -45.28 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -42.27 95.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 76.7 p -67.49 -40.79 85.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.967 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.439 ' SD ' HG21 ' A' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.417 ' HG3' ' HE3' ' C' ' 626' ' ' MET . 4.1 tmtm? -63.43 -40.19 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -48.96 74.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -39.28 89.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.531 ' HB3' ' NE2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.5 -43.6 76.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.502 ' HE3' HE21 ' C' ' 630' ' ' GLN . 1.1 mmtp -62.69 -37.29 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -42.59 96.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.039 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.7 -42.92 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.104 0.478 . . . . 0.0 111.867 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.43 -44.29 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.084 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.436 ' HA ' HD13 ' A' ' 638' ' ' LEU . 19.9 mmtt -56.87 -46.84 81.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.398 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.01 -42.89 95.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.992 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.3 mt -59.09 -40.13 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.714 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.538 ' HA ' HD21 ' C' ' 637' ' ' LEU . 0.6 OUTLIER -62.72 -46.43 88.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -31.61 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.797 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.48 -47.58 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -61.31 -36.05 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.813 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.531 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -64.41 -43.77 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -39.19 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.518 ' HD2' HD23 ' A' ' 641' ' ' LEU . 5.3 mttm -58.27 -37.44 74.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.1 83.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.31 -36.28 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 111.258 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.406 ' HA ' HD13 ' A' ' 651' ' ' LEU . 3.5 tmm_? -70.09 -43.68 70.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.83 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -57.68 -36.55 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.428 HD23 ' CA ' ' B' ' 652' ' ' GLN . 0.4 OUTLIER -54.47 -47.73 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.417 ' CA ' HD23 ' C' ' 651' ' ' LEU . 1.8 tt0 -59.76 -36.14 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 4.0 mtm -63.29 -40.25 96.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.237 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.52 -41.0 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 658' ' ' ILE . 2.9 t -63.11 -43.13 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.001 0.429 . . . . 0.0 111.193 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.47 76.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -51.2 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 655' ' ' VAL . 1.2 tt -67.0 -31.44 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.432 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.38 -44.36 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.88 -42.58 89.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.95 82.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.333 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.21 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.5 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 663' ' ' GLN . 3.0 mm-40 -84.06 -25.1 30.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.77 0.319 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . 0.496 ' HA ' HE21 ' B' ' 606' ' ' GLN . 0.5 OUTLIER -62.25 -34.08 75.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.51 89.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.36 90.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.427 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.492 HG11 ' CD1' ' A' ' 612' ' ' LEU . 38.9 t -62.27 -44.96 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.76 -45.03 90.69 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.134 0.492 . . . . 0.0 111.774 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -42.38 94.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 616' ' ' VAL . 5.1 mt -63.56 -37.49 87.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 612' ' ' LEU . 6.0 ttm105 -64.15 -36.31 83.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -41.95 85.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.07 -36.29 79.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.111 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 612' ' ' LEU . 72.5 t -67.91 -47.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -45.07 91.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.361 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.461 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.0 OUTLIER -65.36 -42.02 93.21 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.89 -40.97 95.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -44.56 89.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -33.05 74.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.554 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 618' ' ' GLU . 82.8 mt -70.68 -36.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.579 HD11 HD12 ' A' ' 623' ' ' ILE . 5.2 mt -70.98 -45.24 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.22 95.28 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.248 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 76.5 p -67.4 -40.89 85.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.972 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.441 ' SD ' HG21 ' B' ' 622' ' ' ILE . 4.7 mtt -62.53 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.425 ' HG3' ' HE3' ' A' ' 626' ' ' MET . 4.1 tmtm? -63.42 -40.3 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -48.96 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -39.42 90.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.536 ' NE2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.44 -43.52 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 -179.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.501 ' HE3' HE21 ' A' ' 630' ' ' GLN . 1.1 mmtp -62.77 -37.28 86.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.63 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.995 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.71 -42.98 94.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.006 0.431 . . . . 0.0 111.84 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.37 -44.3 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.083 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.422 ' HA ' HD13 ' B' ' 638' ' ' LEU . 19.9 mmtt -56.81 -46.9 81.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.06 -42.88 95.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.3 mt -58.95 -40.19 83.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.767 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.538 ' HA ' HD21 ' A' ' 637' ' ' LEU . 0.6 OUTLIER -62.67 -46.55 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -31.64 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.47 -47.57 63.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.522 HD23 ' HD2' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -61.29 -36.1 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.814 179.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -43.86 93.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.544 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.38 -43.79 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.254 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -39.18 93.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.522 ' HD2' HD23 ' B' ' 641' ' ' LEU . 5.3 mttm -58.24 -37.48 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.76 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -45.19 83.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 7.2 mt -66.27 -36.3 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 121.031 0.443 . . . . 0.0 111.179 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.425 ' HA ' HD13 ' B' ' 651' ' ' LEU . 3.5 tmm_? -70.11 -43.75 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.73 -52.94 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.63 -36.59 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.628 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -54.48 -47.77 72.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.743 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.428 ' CA ' HD23 ' A' ' 651' ' ' LEU . 1.8 tt0 -59.72 -36.12 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.189 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.9 mtm -63.34 -40.2 96.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.45 -41.08 85.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.43 ' O ' HG22 ' B' ' 658' ' ' ILE . 2.9 t -63.12 -43.12 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 111.138 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.42 75.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -51.12 61.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.43 HG22 ' O ' ' B' ' 655' ' ' VAL . 1.2 tt -67.13 -31.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.654 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.428 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.37 -44.41 83.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.085 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.89 -42.56 89.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.88 82.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.355 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.18 72.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' B' ' 663' ' ' GLN . 3.0 mm-40 -84.09 -25.06 30.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . 0.487 HE21 ' HA ' ' C' ' 606' ' ' GLN . 0.5 OUTLIER -62.27 -34.08 75.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.58 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.3 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.462 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' B' ' 612' ' ' LEU . 38.7 t -62.3 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.68 -45.09 90.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.148 0.499 . . . . 0.0 111.767 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -42.51 94.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.43 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.549 ' O ' HG23 ' C' ' 616' ' ' VAL . 5.1 mt -63.47 -37.54 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.487 ' HA ' HD21 ' B' ' 612' ' ' LEU . 6.1 ttm105 -64.22 -36.24 83.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -41.91 85.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.634 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.02 -36.25 79.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.019 0.438 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.549 HG23 ' O ' ' C' ' 612' ' ' LEU . 71.6 t -68.05 -47.3 79.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.04 91.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.26 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.449 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.9 OUTLIER -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.86 -40.92 94.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -44.62 89.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -33.05 74.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.62 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.449 HG13 ' O ' ' C' ' 618' ' ' GLU . 83.2 mt -70.7 -36.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.57 HD11 HD12 ' B' ' 623' ' ' ILE . 5.2 mt -71.02 -45.29 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.179 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -42.25 95.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 76.1 p -67.41 -40.86 85.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.007 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.441 ' SD ' HG21 ' C' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.429 ' HG3' ' HE3' ' B' ' 626' ' ' MET . 4.1 tmtm? -63.53 -40.18 96.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -48.91 75.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.031 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -39.36 90.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.536 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -68.46 -43.52 76.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.493 ' HE3' HE21 ' B' ' 630' ' ' GLN . 1.1 mmtp -62.7 -37.33 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -42.62 95.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.068 0.461 . . . . 0.0 111.886 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.33 -44.27 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.139 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.413 ' HA ' HD13 ' C' ' 638' ' ' LEU . 19.8 mmtt -56.81 -46.83 81.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.443 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.22 -42.8 95.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.3 mt -59.09 -40.04 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.538 ' HA ' HD21 ' B' ' 637' ' ' LEU . 0.6 OUTLIER -62.78 -46.48 87.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.119 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.51 -47.52 63.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.517 HD23 ' HD2' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -61.34 -36.13 79.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.79 179.55 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.86 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.46 -43.75 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.186 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -39.19 93.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.517 ' HD2' HD23 ' C' ' 641' ' ' LEU . 5.3 mttm -58.22 -37.46 74.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -45.12 83.12 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.36 -36.19 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.211 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.6 tmm_? -70.17 -43.74 70.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.024 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.76 -52.99 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.747 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.719 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -54.47 -47.76 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.711 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.424 ' CA ' HD23 ' B' ' 651' ' ' LEU . 1.8 tt0 -59.79 -36.07 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.209 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 4.0 mtm -63.32 -40.25 96.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.41 -41.14 85.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.586 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.426 ' O ' HG22 ' C' ' 658' ' ' ILE . 2.9 t -63.01 -43.16 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 111.203 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.34 -33.45 76.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -51.07 61.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.741 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.432 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 1.2 tt -67.13 -31.38 53.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.427 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.32 -44.43 83.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.81 -42.64 89.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.9 82.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.339 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.7 -31.17 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . 0.476 HE21 ' HA ' ' C' ' 663' ' ' GLN . 3.0 mm-40 -83.98 -25.14 30.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t -75.94 -48.48 21.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.592 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 14.7 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.051 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.518 ' O ' HG21 ' A' ' 609' ' ' VAL . 29.7 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -36.99 73.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.17 99.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.91 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.417 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 605' ' ' SER . 2.4 t -68.38 -33.18 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -48.78 80.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.14 0.495 . . . . 0.0 111.734 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.64 -43.84 97.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.433 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' B' ' 613' ' ' ARG . 7.7 mt -59.71 -39.22 83.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.598 ' HB2' HH11 ' A' ' 613' ' ' ARG . 8.8 ttm105 -59.12 -45.55 90.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -47.95 83.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.675 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.19 -36.42 77.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.997 0.427 . . . . 0.0 111.122 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 612' ' ' LEU . 36.1 t -65.35 -46.68 89.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.162 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -42.52 95.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.356 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.014 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 619' ' ' LEU . 1.9 mt -55.49 -41.88 73.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -46.21 88.18 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.87 -32.5 74.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.59 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.489 ' O ' ' HG3' ' A' ' 626' ' ' MET . 43.4 mt -68.29 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.048 0.452 . . . . 0.0 111.672 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.508 HG12 HG12 ' C' ' 623' ' ' ILE . 4.3 mt -63.3 -38.79 83.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.95 -43.2 88.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.48 -45.77 74.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.007 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -64.02 -40.09 95.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.21 -40.0 93.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.37 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.771 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.446 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -65.27 -42.84 92.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.45 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -64.05 -40.92 97.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . 0.449 ' NH2' ' HB3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.37 98.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.959 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.56 ' HB3' HG22 ' B' ' 634' ' ' ILE . 1.3 mt-10 -63.78 -43.03 97.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.873 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.575 HG22 ' HB3' ' C' ' 633' ' ' GLU . 27.0 mt -65.64 -43.15 93.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.115 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.1 -44.45 79.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -35.66 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.24 -43.87 90.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.9 -45.25 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.103 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.57 -39.74 92.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' B' ' 641' ' ' LEU . 4.2 tp10 -64.93 -43.52 92.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 0.0 110.947 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' C' ' 640' ' ' GLU . 0.3 OUTLIER -62.33 -39.11 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.762 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.35 -34.15 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -70.01 -48.25 58.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.211 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -35.44 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.887 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.453 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 21.2 mttm -61.26 -38.78 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.25 87.01 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.456 ' H ' HG13 ' A' ' 647' ' ' ILE . 1.8 mt -68.12 -41.45 84.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.433 HH21 ' HG2' ' C' ' 644' ' ' GLU . 3.4 tmm_? -56.3 -49.97 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.0 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.17 95.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.49 -35.78 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -44.96 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.35 -38.68 81.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.168 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.01 -40.34 94.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.336 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.554 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.62 -39.13 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.98 0.419 . . . . 0.0 111.189 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -62.87 -33.61 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.71 -50.97 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -30.03 48.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.658 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -43.99 87.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -40.6 95.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.67 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.304 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -29.11 66.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -28.98 24.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.526 ' O ' HG21 ' B' ' 609' ' ' VAL . 29.7 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -37.16 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.16 98.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.89 92.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.526 HG21 ' O ' ' B' ' 605' ' ' SER . 2.4 t -68.34 -33.25 59.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.657 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.02 -48.87 79.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.174 0.512 . . . . 0.0 111.791 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 616' ' ' VAL . 7.8 mt -59.69 -39.24 83.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.11 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.612 HH11 ' HB2' ' B' ' 613' ' ' ARG . 8.9 ttm105 -59.09 -45.59 90.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -47.85 83.62 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.621 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -69.33 -36.32 76.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 111.15 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 612' ' ' LEU . 36.5 t -65.37 -46.6 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -42.48 94.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.14 -40.22 95.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 1.8 mt -55.51 -41.84 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -46.15 88.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.484 ' O ' ' HG3' ' B' ' 626' ' ' MET . 43.4 mt -68.38 -47.98 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.655 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.507 HG12 HG12 ' A' ' 623' ' ' ILE . 4.3 mt -63.31 -38.86 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.21 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.88 -43.17 89.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -45.69 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.99 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.56 98.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -64.2 -39.95 95.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.41 78.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.437 ' HG3' ' HE3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -65.31 -42.69 92.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.973 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.446 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.16 -40.86 97.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.433 ' NH2' ' HB3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.978 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.573 ' HB3' HG22 ' C' ' 634' ' ' ILE . 1.3 mt-10 -63.74 -43.07 97.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.108 0.48 . . . . 0.0 111.877 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.56 HG22 ' HB3' ' A' ' 633' ' ' GLU . 27.2 mt -65.58 -43.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.102 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.02 -44.46 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.401 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -35.63 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.25 -43.84 90.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.763 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.81 -45.27 94.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.168 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.65 -39.73 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.409 ' HB3' HD12 ' C' ' 641' ' ' LEU . 4.2 tp10 -64.95 -43.6 92.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 640' ' ' GLU . 0.3 OUTLIER -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.74 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.36 -34.16 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.05 -48.19 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.245 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.451 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.42 79.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.896 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.453 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 21.1 mttm -61.27 -38.84 88.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.36 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.433 ' HB ' ' HD3' ' C' ' 648' ' ' ARG . 1.8 mt -67.99 -41.59 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.101 0.477 . . . . 0.0 111.162 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.447 HH21 ' HG2' ' A' ' 644' ' ' GLU . 3.4 tmm_? -56.32 -49.91 72.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.24 95.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -64.39 -35.83 82.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.726 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' C' ' 651' ' ' LEU . 0.2 OUTLIER -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.729 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.41 -38.68 81.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.152 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.93 -40.47 95.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.301 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -46.64 88.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.544 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.58 -39.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.86 -33.59 75.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.57 -51.04 55.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -30.02 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.659 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -44.05 87.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -40.7 95.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.62 83.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.17 66.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -29.05 24.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.993 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.522 ' O ' HG21 ' C' ' 609' ' ' VAL . 29.6 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.749 0.309 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -37.09 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.13 98.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.91 92.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.398 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.522 HG21 ' O ' ' C' ' 605' ' ' SER . 2.4 t -68.39 -33.24 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.583 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.08 -48.78 80.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.176 0.513 . . . . 0.0 111.782 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.419 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.546 HD21 ' HA ' ' A' ' 613' ' ' ARG . 7.7 mt -59.81 -39.09 83.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.616 ' HB2' HH11 ' C' ' 613' ' ' ARG . 8.8 ttm105 -59.21 -45.57 90.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -47.94 83.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.652 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.29 -36.31 76.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.998 0.427 . . . . 0.0 111.146 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.539 HG23 ' O ' ' C' ' 612' ' ' LEU . 36.0 t -65.34 -46.68 89.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -42.55 95.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.31 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.21 95.68 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.012 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.48 -41.79 73.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -46.27 88.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.82 -32.44 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.571 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' C' ' 626' ' ' MET . 42.8 mt -68.46 -47.93 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.508 HG12 HG12 ' A' ' 623' ' ' ILE . 4.3 mt -63.28 -38.88 83.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -65.83 -43.24 89.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -45.83 74.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.482 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 17.3 mtt -60.99 -42.56 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.969 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.406 ' HG3' ' HB3' ' B' ' 626' ' ' MET . 3.2 tmtm? -64.15 -39.98 95.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.31 -39.99 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.04 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -42.42 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.45 ' HG3' ' HE3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -65.32 -42.79 92.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.451 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -40.88 97.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . 0.451 ' NH2' ' HB3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.38 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.969 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.575 ' HB3' HG22 ' A' ' 634' ' ' ILE . 1.3 mt-10 -63.81 -42.99 97.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 111.874 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.573 HG22 ' HB3' ' B' ' 633' ' ' GLU . 27.2 mt -65.6 -43.23 94.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.141 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.09 -44.42 79.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.427 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -35.63 81.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.28 -43.81 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.782 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.87 -45.29 94.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.2 p -61.52 -39.8 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.42 ' HB3' HD12 ' A' ' 641' ' ' LEU . 4.2 tp10 -64.93 -43.59 92.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.036 0.446 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' B' ' 640' ' ' GLU . 0.3 OUTLIER -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.754 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.558 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.08 -48.23 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.201 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.52 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.781 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.451 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 21.1 mttm -61.19 -38.82 87.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -47.29 86.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.427 ' HB ' ' HD3' ' A' ' 648' ' ' ARG . 1.8 mt -68.11 -41.51 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 121.068 0.461 . . . . 0.0 111.159 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.436 HH21 ' HG2' ' B' ' 644' ' ' GLU . 3.4 tmm_? -56.24 -49.99 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.075 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -40.26 95.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.695 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.42 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' B' ' 651' ' ' LEU . 0.2 OUTLIER -61.3 -44.88 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.44 -38.66 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.96 -40.46 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.31 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -46.65 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.548 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.54 -39.23 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.82 -33.66 75.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.55 -51.12 54.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.728 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -30.03 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.7 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.63 -44.06 87.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.62 95.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.57 83.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.21 66.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.544 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -29.02 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t -67.72 -32.65 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 6.4 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.049 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.526 ' O ' HG21 ' A' ' 609' ' ' VAL . 23.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -42.02 79.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.99 91.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 605' ' ' SER . 62.4 t -62.86 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.3 -38.29 79.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.182 0.515 . . . . 0.0 111.783 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.31 -42.86 92.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' B' ' 613' ' ' ARG . 9.9 tp -67.46 -39.62 85.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.7 ' HA ' HD11 ' C' ' 612' ' ' LEU . 2.8 tpt180 -62.43 -43.6 98.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.1 p -63.53 -41.91 98.46 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.642 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -37.9 78.69 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 111.13 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 612' ' ' LEU . 88.8 t -67.02 -50.15 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -48.11 83.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -37.86 86.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 623' ' ' ILE . 53.2 tp -63.39 -40.19 96.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.455 HH11 ' HB2' ' C' ' 619' ' ' LEU . 0.7 OUTLIER -61.59 -35.35 77.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -39.46 94.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.481 HG21 ' HZ3' ' B' ' 627' ' ' LYS . 11.6 mt -70.09 -37.45 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.635 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.1 mp -61.66 -48.87 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.246 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.67 -34.05 75.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 3.1 m -72.26 -43.47 64.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.009 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.526 ' HG2' ' NE2' ' B' ' 630' ' ' GLN . 5.6 ttm -63.18 -35.48 80.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 1.0 OUTLIER -65.75 -51.02 62.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -28.0 65.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 625' ' ' THR . 0.0 OUTLIER -68.73 -43.15 76.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.796 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.527 ' NE2' ' HG2' ' C' ' 626' ' ' MET . 3.4 pt20 -70.04 -33.94 72.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -65.8 -38.29 88.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -72.19 -39.82 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.966 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.52 -50.75 70.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.943 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.95 -35.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.114 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 4.2 ttpp -59.48 -50.84 72.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.405 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.26 -32.5 73.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.994 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.53 88.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.763 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.32 -40.39 93.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -39.01 92.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.606 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 25.0 tt0 -68.99 -35.74 77.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 645' ' ' LYS . 0.8 OUTLIER -68.73 -38.72 80.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.803 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.77 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.486 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.43 72.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.238 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -67.43 -33.57 75.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.892 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.61 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 7.0 mttt -64.43 -45.84 85.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.767 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -65.96 -47.7 73.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.519 ' HA ' ' HD3' ' A' ' 650' ' ' ARG . 15.1 tt -65.21 -37.88 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.127 0.489 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.25 -43.44 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . 0.632 ' HA ' ' HG3' ' A' ' 652' ' ' GLN . 6.0 tt -62.11 -39.12 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.519 ' HD3' ' HA ' ' A' ' 647' ' ' ILE . 1.0 OUTLIER -59.93 -40.95 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.758 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' B' ' 655' ' ' VAL . 21.9 tp -65.62 -37.09 85.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.632 ' HG3' ' HA ' ' A' ' 649' ' ' LEU . 2.0 mt-30 -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.157 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -41.16 91.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.315 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.483 ' O ' HG13 ' A' ' 658' ' ' ILE . 3.0 tp10 -67.52 -40.38 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.518 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.574 ' HA ' HD13 ' A' ' 658' ' ' ILE . 53.7 t -59.04 -46.22 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.14 -35.58 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.722 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 655' ' ' VAL . 3.2 mt -66.25 -36.17 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.649 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.408 ' HG2' HG12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -66.89 -38.77 86.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.831 0.348 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.62 -53.47 54.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.305 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -32.1 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.528 ' O ' HG21 ' B' ' 609' ' ' VAL . 23.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.91 79.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.97 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.862 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.19 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.528 HG21 ' O ' ' B' ' 605' ' ' SER . 62.5 t -62.95 -48.95 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.19 -38.43 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.186 0.517 . . . . 0.0 111.778 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.28 -42.83 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.441 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' C' ' 613' ' ' ARG . 9.9 tp -67.55 -39.63 84.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.787 0.327 . . . . 0.0 111.091 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.718 ' HA ' HD11 ' A' ' 612' ' ' LEU . 2.9 tpt180 -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 13.2 p -63.52 -41.88 98.49 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.697 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -37.77 78.32 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.983 0.421 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.09 -50.11 66.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -48.08 83.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.294 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -37.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.978 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.541 ' O ' HD12 ' B' ' 623' ' ' ILE . 53.2 tp -63.46 -40.18 96.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.448 HH11 ' HB2' ' A' ' 619' ' ' LEU . 0.7 OUTLIER -61.66 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -39.31 94.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.469 HG21 ' HZ3' ' C' ' 627' ' ' LYS . 11.6 mt -70.14 -37.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.616 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.541 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.1 mp -61.69 -48.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.7 -33.95 74.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.256 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 625' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 3.1 m -72.22 -43.59 64.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.009 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.523 ' HG2' ' NE2' ' C' ' 630' ' ' GLN . 5.6 ttm -63.13 -35.47 80.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 1.0 OUTLIER -65.82 -50.93 62.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -28.03 65.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.069 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.1 76.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.526 ' NE2' ' HG2' ' A' ' 626' ' ' MET . 3.4 pt20 -70.15 -33.96 72.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -65.73 -38.29 88.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -72.25 -39.72 68.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.969 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.66 -50.69 70.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 111.879 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.99 -35.87 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 4.3 ttpp -59.41 -50.86 72.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.27 -32.52 73.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.49 88.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.3 -40.42 93.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.05 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.793 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.595 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 25.0 tt0 -68.93 -35.71 77.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' B' ' 645' ' ' LYS . 0.8 OUTLIER -68.8 -38.76 80.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.758 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -29.71 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -69.56 -43.47 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.467 ' O ' HG23 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.872 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.606 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 6.9 mttt -64.43 -45.78 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.0 -47.72 73.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.176 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.535 ' HA ' ' HD3' ' B' ' 650' ' ' ARG . 15.2 tt -65.24 -37.91 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.092 0.472 . . . . 0.0 111.144 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.15 -43.51 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . 0.644 ' HA ' ' HG3' ' B' ' 652' ' ' GLN . 5.9 tt -62.06 -39.04 91.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.77 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.535 ' HD3' ' HA ' ' B' ' 647' ' ' ILE . 1.0 OUTLIER -60.04 -40.95 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' C' ' 655' ' ' VAL . 22.1 tp -65.68 -37.1 85.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.644 ' HG3' ' HA ' ' B' ' 649' ' ' LEU . 2.0 mt-30 -58.25 -44.53 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -41.22 91.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.485 ' O ' HG13 ' B' ' 658' ' ' ILE . 3.0 tp10 -67.38 -40.51 85.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.576 ' HA ' HD13 ' B' ' 658' ' ' ILE . 54.3 t -58.92 -46.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.21 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.12 -35.61 77.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.22 -42.56 98.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' B' ' 655' ' ' VAL . 3.2 mt -66.16 -36.2 76.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.591 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -38.69 86.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.852 0.358 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.64 -53.55 52.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.08 79.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.39 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -33.89 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.78 -32.13 31.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.529 ' O ' HG21 ' C' ' 609' ' ' VAL . 23.8 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.764 0.316 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.89 79.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.99 91.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.16 91.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.398 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.529 HG21 ' O ' ' C' ' 605' ' ' SER . 62.6 t -62.87 -48.96 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.31 -38.27 79.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.201 0.524 . . . . 0.0 111.789 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.32 -42.9 92.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.452 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' A' ' 613' ' ' ARG . 9.9 tp -67.52 -39.56 85.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.716 ' HA ' HD11 ' B' ' 612' ' ' LEU . 2.8 tpt180 -62.47 -43.57 98.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.039 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 13.2 p -63.56 -41.89 98.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.643 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -37.8 78.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.07 -50.08 67.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.249 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.4 OUTLIER -60.87 -47.96 83.97 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.369 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -37.78 86.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.527 ' O ' HD12 ' C' ' 623' ' ' ILE . 53.3 tp -63.46 -40.11 96.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.46 HH11 ' HB2' ' B' ' 619' ' ' LEU . 0.7 OUTLIER -61.65 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -39.32 94.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.57 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.474 HG21 ' HZ3' ' A' ' 627' ' ' LYS . 11.5 mt -70.16 -37.4 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.062 0.458 . . . . 0.0 111.643 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.527 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.1 mp -61.68 -48.94 86.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.65 -33.99 74.91 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 625' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 3.1 m -72.26 -43.61 64.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.527 ' HG2' ' NE2' ' A' ' 630' ' ' GLN . 5.6 ttm -63.01 -35.54 80.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 1.0 OUTLIER -65.77 -50.89 63.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -27.92 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.104 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' C' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.18 76.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.787 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.523 ' NE2' ' HG2' ' B' ' 626' ' ' MET . 3.4 pt20 -70.04 -34.05 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -65.72 -38.26 88.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -72.21 -39.79 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.59 -50.71 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 0.0 111.904 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.96 -35.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.111 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 4.3 ttpp -59.39 -50.78 72.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.477 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.39 -32.48 73.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -44.57 88.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.17 -40.44 94.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -39.01 92.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.61 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 25.0 tt0 -68.98 -35.77 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' C' ' 645' ' ' LYS . 0.8 OUTLIER -68.71 -38.71 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.833 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.527 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.45 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.209 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.452 ' O ' HG23 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -67.41 -33.62 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.85 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.595 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 7.0 mttt -64.47 -45.79 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.63 73.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.524 ' HA ' ' HD3' ' C' ' 650' ' ' ARG . 15.1 tt -65.19 -37.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.104 0.478 . . . . 0.0 111.294 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.31 -43.43 81.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . 0.624 ' HA ' ' HG3' ' C' ' 652' ' ' GLN . 6.0 tt -62.13 -39.02 91.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.524 ' HD3' ' HA ' ' C' ' 647' ' ' ILE . 1.0 OUTLIER -60.05 -40.91 91.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.706 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.408 HD13 ' HB ' ' A' ' 655' ' ' VAL . 22.1 tp -65.63 -37.12 85.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.624 ' HG3' ' HA ' ' C' ' 649' ' ' LEU . 2.0 mt-30 -58.28 -44.45 88.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.193 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -41.16 91.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.261 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.488 ' O ' HG13 ' C' ' 658' ' ' ILE . 3.0 tp10 -67.43 -40.47 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.575 ' HA ' HD13 ' C' ' 658' ' ' ILE . 54.0 t -58.99 -46.23 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.08 -35.6 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.35 -42.52 98.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.575 HD13 ' HA ' ' C' ' 655' ' ' VAL . 3.1 mt -66.13 -36.21 76.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.693 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.76 86.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.55 -53.48 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.94 78.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.295 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -32.17 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 31.2 m -63.72 -41.9 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.451 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.732 0.301 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -24.43 59.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.54 98.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . 0.405 ' HB3' HG12 ' B' ' 609' ' ' VAL . . . -61.17 -38.95 88.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.46 HG22 HG23 ' C' ' 609' ' ' VAL . 4.7 t -66.47 -33.87 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.8 -43.54 98.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.153 0.501 . . . . 0.0 111.74 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -43.63 89.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.388 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.572 ' CD2' ' HA ' ' B' ' 613' ' ' ARG . 12.5 mt -59.59 -43.02 93.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.084 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' C' ' 612' ' ' LEU . 25.5 ttm180 -57.84 -35.76 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.56 81.37 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.653 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -29.96 65.03 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.448 HG23 HD22 ' C' ' 612' ' ' LEU . 73.8 t -66.77 -46.18 86.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.44 -45.66 89.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.513 ' O ' ' HB ' ' A' ' 622' ' ' ILE . 13.6 mt -63.95 -48.32 76.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -57.94 -51.2 70.6 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 65.2 p -61.17 -23.84 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.513 ' HB ' ' O ' ' A' ' 619' ' ' LEU . 2.1 mt -68.35 -50.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.043 0.449 . . . . 0.0 111.629 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.648 HG12 HG12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -65.6 -36.52 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.25 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.13 -44.72 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.63 -43.32 94.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.004 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.508 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 39.5 mtt -67.69 -30.68 70.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.598 ' HZ3' ' HZ3' ' A' ' 631' ' ' LYS . 4.4 tmtm? -69.16 -42.74 75.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.12 -38.55 85.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.006 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.24 -44.14 92.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.795 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.471 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.2 OUTLIER -69.71 -35.7 75.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.003 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.598 ' HZ3' ' HZ3' ' A' ' 627' ' ' LYS . 0.8 OUTLIER -63.44 -44.9 93.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -43.83 97.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.51 -44.03 97.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 111.874 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.33 -38.6 82.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.096 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.723 ' HE3' ' HA ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.45 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.3 -38.12 89.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' B' ' 638' ' ' LEU . 0.4 OUTLIER -64.15 -42.83 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.475 ' HA ' HD21 ' C' ' 637' ' ' LEU . 12.0 mt -63.14 -46.75 85.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.67 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.8 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.541 ' HB3' HD11 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -66.43 -40.29 89.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' C' ' 640' ' ' GLU . 0.9 OUTLIER -66.36 -38.19 87.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.75 179.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.93 -43.68 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.63 ' HG2' HD11 ' A' ' 647' ' ' ILE . 31.6 tt0 -58.56 -47.21 85.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.265 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.416 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -59.24 -40.36 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.409 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 5.8 mttt -61.93 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mtmm -59.4 -47.06 86.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.63 HD11 ' HG2' ' A' ' 643' ' ' GLU . 3.6 mt -67.28 -34.02 66.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 111.185 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -42.56 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.059 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 646' ' ' LYS . 11.1 mt -57.53 -46.88 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.454 HH21 HG13 ' A' ' 647' ' ' ILE . 44.9 mtm-85 -60.11 -38.82 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.715 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.497 ' HG ' ' HG3' ' B' ' 652' ' ' GLN . 0.2 OUTLIER -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.516 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 1.5 tt0 -61.4 -38.68 87.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.93 -37.38 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 111.324 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -41.13 97.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.531 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 1.5 t -71.13 -39.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.028 0.442 . . . . 0.0 111.217 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -65.98 -37.69 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.12 -47.17 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 659' ' ' LYS . 8.7 tt -68.95 -31.04 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.701 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.702 ' HA ' HD11 ' C' ' 658' ' ' ILE . 10.2 tptt -64.19 -47.11 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.23 -42.95 92.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.16 79.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.354 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -42.61 99.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -20.97 37.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.96 -24.45 59.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.51 98.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . 0.411 ' HB3' HG12 ' C' ' 609' ' ' VAL . . . -61.17 -39.02 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.367 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.458 HG22 HG23 ' A' ' 609' ' ' VAL . 4.7 t -66.42 -33.88 66.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.611 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.68 -43.6 98.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.208 0.528 . . . . 0.0 111.788 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -43.48 89.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.523 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.573 ' CD2' ' HA ' ' C' ' 613' ' ' ARG . 12.5 mt -59.66 -43.04 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.572 ' HA ' ' CD2' ' A' ' 612' ' ' LEU . 25.4 ttm180 -57.88 -35.74 71.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.97 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -42.47 81.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.649 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.75 -30.02 65.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.449 HG23 HD22 ' A' ' 612' ' ' LEU . 74.1 t -66.77 -46.3 85.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -45.61 90.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.35 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -29.76 70.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.497 ' O ' ' HB ' ' B' ' 622' ' ' ILE . 13.6 mt -63.97 -48.35 76.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -57.85 -51.35 69.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 65.3 p -61.11 -23.77 65.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.671 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.497 ' HB ' ' O ' ' B' ' 619' ' ' LEU . 2.1 mt -68.35 -50.67 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.594 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.648 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.66 -36.49 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.224 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.11 -44.77 91.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.042 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.5 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 39.5 mtt -67.62 -30.7 70.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.601 ' HZ3' ' HZ3' ' B' ' 631' ' ' LYS . 4.4 tmtm? -69.13 -42.71 75.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.15 -38.55 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -64.33 -44.03 92.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.749 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.473 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -69.76 -35.72 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.921 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.601 ' HZ3' ' HZ3' ' B' ' 627' ' ' LYS . 0.8 OUTLIER -63.49 -44.84 93.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -43.86 97.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.017 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.5 -44.06 97.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.047 0.451 . . . . 0.0 111.873 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.27 -38.67 83.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.725 ' HA ' ' HE3' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -62.13 -46.47 88.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.924 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.479 HD23 HD13 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.14 -42.93 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.714 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.475 ' HA ' HD21 ' A' ' 637' ' ' LEU . 12.0 mt -63.1 -46.75 85.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 50.8 p -63.59 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.549 ' HB3' HD11 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.081 0.467 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 640' ' ' GLU . 0.9 OUTLIER -66.26 -38.32 87.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.766 179.539 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.9 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.515 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.622 ' HG2' HD11 ' B' ' 647' ' ' ILE . 31.9 tt0 -58.65 -47.21 85.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.207 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -40.39 85.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.416 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 5.8 mttt -61.97 -42.95 99.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 19.6 mtmm -59.31 -47.06 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.242 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.622 HD11 ' HG2' ' B' ' 643' ' ' GLU . 3.6 mt -67.38 -33.87 65.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.063 0.459 . . . . 0.0 111.169 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' B' ' 646' ' ' LYS . 11.2 mt -57.45 -46.95 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.449 HH21 HG13 ' B' ' 647' ' ' ILE . 44.8 mtm-85 -60.07 -38.9 84.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.509 ' HG ' ' HG3' ' C' ' 652' ' ' GLN . 0.2 OUTLIER -61.2 -45.1 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.497 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.5 tt0 -61.44 -38.65 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.134 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.98 -37.34 84.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.288 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -41.21 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.549 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.99 -39.1 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.174 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . 0.407 ' HB3' ' HZ3' ' B' ' 660' ' ' LYS . 66.6 m-20 -65.97 -37.67 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.14 -47.04 69.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' C' ' 659' ' ' LYS . 8.7 tt -69.02 -31.04 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.658 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.716 ' HA ' HD11 ' A' ' 658' ' ' ILE . 10.2 tptt -64.23 -47.06 81.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . 0.407 ' HZ3' ' HB3' ' B' ' 656' ' ' ASN . 16.8 mttt -59.26 -42.85 92.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.11 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.389 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -21.04 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.85 -24.53 59.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.48 98.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . 0.401 ' HB3' HG12 ' A' ' 609' ' ' VAL . . . -61.25 -38.95 88.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.395 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.46 HG23 HG22 ' A' ' 609' ' ' VAL . 4.7 t -66.45 -33.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.64 -43.67 98.22 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.101 0.477 . . . . 0.0 111.753 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -43.6 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.426 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.575 ' CD2' ' HA ' ' A' ' 613' ' ' ARG . 12.5 mt -59.69 -42.99 94.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.573 ' HA ' ' CD2' ' B' ' 612' ' ' LEU . 25.5 ttm180 -57.85 -35.76 71.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.024 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.54 81.38 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.646 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.76 -30.01 65.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.142 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.459 HG23 HD22 ' B' ' 612' ' ' LEU . 73.9 t -66.7 -46.31 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.184 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.25 -45.74 90.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.3 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -29.75 70.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.497 ' O ' ' HB ' ' C' ' 622' ' ' ILE . 13.6 mt -63.98 -48.34 76.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.008 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 65.1 p -61.15 -23.85 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.497 ' HB ' ' O ' ' C' ' 619' ' ' LEU . 2.2 mt -68.26 -50.68 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.655 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.647 HG12 HG12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -65.58 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.249 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.15 -44.71 91.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 8.8 p -64.6 -43.32 94.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.037 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.51 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 39.5 mtt -67.69 -30.62 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.618 ' HZ3' ' HZ3' ' C' ' 631' ' ' LYS . 4.4 tmtm? -69.22 -42.69 75.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.1 -38.55 85.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -64.31 -44.08 92.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.79 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.464 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -69.74 -35.72 75.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.618 ' HZ3' ' HZ3' ' C' ' 627' ' ' LYS . 0.8 OUTLIER -63.5 -44.8 93.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.011 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.47 -44.06 97.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.901 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.3 -38.58 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.101 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.729 ' HA ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -62.12 -46.52 88.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -179.548 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.32 -38.06 89.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 638' ' ' LEU . 0.4 OUTLIER -64.2 -42.82 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 637' ' ' LEU . 12.0 mt -63.16 -46.67 86.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.151 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.72 -32.19 73.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.532 ' HB3' HD11 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.39 89.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.016 0.436 . . . . 0.0 110.839 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' B' ' 640' ' ' GLU . 0.9 OUTLIER -66.27 -38.24 87.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.86 -43.69 98.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.513 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.639 ' HG2' HD11 ' C' ' 647' ' ' ILE . 31.7 tt0 -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.409 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -59.21 -40.43 85.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.932 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -61.94 -42.96 99.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.717 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.512 ' HA ' HD12 ' C' ' 649' ' ' LEU . 19.6 mtmm -59.21 -47.18 86.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.639 HD11 ' HG2' ' C' ' 643' ' ' GLU . 3.6 mt -67.21 -33.96 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.101 0.476 . . . . 0.0 111.248 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' C' ' 646' ' ' LYS . 11.3 mt -57.58 -46.89 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.691 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.451 HH21 HG13 ' C' ' 647' ' ' ILE . 44.7 mtm-85 -60.02 -38.87 83.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.516 ' HG ' ' HG3' ' A' ' 652' ' ' GLN . 0.2 OUTLIER -61.19 -45.11 95.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.509 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.5 tt0 -61.38 -38.66 87.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.197 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -67.03 -37.33 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.219 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -41.07 97.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.532 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 1.5 t -71.13 -39.07 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 111.166 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . 0.415 ' HB3' ' HZ3' ' C' ' 660' ' ' LYS . 66.5 m-20 -66.02 -37.64 86.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.16 -47.14 68.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.724 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.702 HD11 ' HA ' ' A' ' 659' ' ' LYS . 8.7 tt -68.93 -31.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.652 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.719 ' HA ' HD11 ' B' ' 658' ' ' ILE . 10.2 tptt -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.852 0.358 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . 0.415 ' HZ3' ' HB3' ' C' ' 656' ' ' ASN . 16.8 mttt -59.24 -42.82 91.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.27 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.305 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.606 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -21.0 37.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.3 m -71.19 -41.4 70.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.87 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.728 0.299 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.42 -25.1 54.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.07 86.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.95 -35.07 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.436 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.83 -42.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.0 -44.21 97.2 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 111.799 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -44.38 86.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.485 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' B' ' 613' ' ' ARG . 8.5 mt -64.57 -39.3 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.603 ' HA ' HD21 ' C' ' 612' ' ' LEU . 24.9 ttm180 -59.09 -41.39 87.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -43.36 97.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.619 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.77 -36.22 75.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.051 0.453 . . . . 0.0 111.208 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 612' ' ' LEU . 84.8 t -64.27 -50.03 78.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.92 93.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.31 -38.32 84.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.017 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.496 ' HG ' ' HE ' ' B' ' 620' ' ' ARG . 0.2 OUTLIER -58.11 -46.98 84.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.028 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.49 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.77 79.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -36.19 75.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.55 -42.57 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.556 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 9.5 mt -64.77 -36.62 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.197 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.53 -52.78 59.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.272 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.04 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.71 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 27.7 mtt -56.55 -41.6 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.69 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 2.2 tmtm? -65.8 -40.74 92.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -64.89 -39.4 93.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.411 HE22 ' HG2' ' B' ' 627' ' ' LYS . 0.2 OUTLIER -63.99 -43.55 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -43.54 98.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -41.08 98.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.992 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.642 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.5 mt-10 -66.05 -41.35 90.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 0.0 111.853 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.627 HG21 ' HB3' ' C' ' 633' ' ' GLU . 16.2 mt -62.05 -48.06 90.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.139 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.16 -44.71 83.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.459 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -60.32 -44.68 95.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.004 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' B' ' 637' ' ' LEU . 0.3 OUTLIER -60.1 -42.26 94.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.652 ' HG ' HD13 ' C' ' 637' ' ' LEU . 10.5 mt -61.71 -47.82 83.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.076 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.28 -38.31 79.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -43.25 85.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.006 0.431 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.419 HD21 ' HE2' ' A' ' 645' ' ' LYS . 4.5 tt -61.08 -41.87 97.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.786 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -35.35 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.474 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.199 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.99 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 649' ' ' LEU . 9.1 mttt -65.44 -37.15 86.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.44 ' HA ' HD12 ' A' ' 649' ' ' LEU . 8.7 mtmm -65.95 -51.04 62.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 3.6 mt -60.88 -43.16 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.478 HH12 HD21 ' A' ' 649' ' ' LEU . 3.3 tmm_? -61.47 -34.83 76.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.054 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 645' ' ' LYS . 47.6 mt -61.69 -45.01 95.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.53 -33.99 77.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.667 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.29 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.22 -36.96 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 12.1 mtm -61.67 -44.73 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.271 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.42 -44.2 95.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.6 t -61.67 -43.54 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -35.35 80.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.79 -48.65 68.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.679 HG12 HD13 ' C' ' 658' ' ' ILE . 10.7 tt -67.19 -30.11 48.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.646 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -70.69 -38.7 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.59 81.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.22 81.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.661 HD12 HG13 ' C' ' 658' ' ' ILE . 2.6 tt -59.73 -35.48 74.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.21 -23.06 47.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.033 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -25.05 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.12 86.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.96 -35.06 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.85 -42.16 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.01 -44.12 97.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.12 0.485 . . . . 0.0 111.842 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -44.46 86.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.468 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' C' ' 613' ' ' ARG . 8.5 mt -64.51 -39.35 93.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.618 ' HA ' HD21 ' A' ' 612' ' ' LEU . 24.8 ttm180 -59.07 -41.41 87.91 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -43.38 97.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.643 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.68 -36.24 75.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.081 0.467 . . . . 0.0 111.252 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 612' ' ' LEU . 85.0 t -64.25 -50.0 78.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.9 92.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.32 -38.4 84.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.493 ' HG ' ' HE ' ' C' ' 620' ' ' ARG . 0.2 OUTLIER -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.496 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.7 79.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -36.1 75.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.6 -42.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.585 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 619' ' ' LEU . 9.6 mt -64.82 -36.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.197 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.67 -52.63 59.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.91 81.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.978 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.7 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 27.7 mtt -56.7 -41.57 77.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.71 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 2.2 tmtm? -65.83 -40.74 92.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.82 -39.45 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -47.68 78.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.421 HE22 ' HG2' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -64.02 -43.53 95.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.76 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.401 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -61.1 -43.63 98.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -41.1 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.5 mt-10 -65.97 -41.32 91.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 111.906 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.642 HG21 ' HB3' ' A' ' 633' ' ' GLU . 16.1 mt -62.16 -48.07 90.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.025 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.17 -44.65 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.451 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -60.38 -44.66 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' C' ' 637' ' ' LEU . 0.3 OUTLIER -60.05 -42.26 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HG ' HD13 ' A' ' 637' ' ' LEU . 10.4 mt -61.73 -47.78 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 13.1 p -59.31 -38.24 79.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.775 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -43.24 85.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.414 HD21 ' HE2' ' B' ' 645' ' ' LYS . 4.5 tt -61.2 -41.76 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.755 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.47 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.44 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.32 -43.81 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.249 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -34.17 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' B' ' 649' ' ' LEU . 9.1 mttt -65.27 -37.15 86.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' B' ' 649' ' ' LEU . 8.7 mtmm -66.04 -50.94 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 3.6 mt -60.97 -43.15 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 111.196 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.49 HH12 HD21 ' B' ' 649' ' ' LEU . 3.3 tmm_? -61.43 -34.87 76.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.061 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 645' ' ' LYS . 47.4 mt -61.61 -45.07 95.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.45 -34.06 77.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.673 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.27 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.08 -36.99 84.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.178 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.63 -44.76 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.262 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.2 95.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 651' ' ' LEU . 42.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -35.37 80.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.76 68.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.676 HG12 HD13 ' A' ' 658' ' ' ILE . 10.8 tt -67.1 -30.16 48.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.678 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -70.65 -38.66 73.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -46.59 81.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.29 81.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 658' ' ' ILE . 2.7 tt -59.72 -35.43 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.26 -23.08 47.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.736 0.303 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -25.15 54.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.18 86.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.13 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.467 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.77 -42.05 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.13 -44.15 97.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.176 0.513 . . . . 0.0 111.733 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -44.42 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.603 HD21 ' HA ' ' A' ' 613' ' ' ARG . 8.4 mt -64.62 -39.35 93.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.021 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.614 ' HA ' HD21 ' B' ' 612' ' ' LEU . 24.8 ttm180 -59.06 -41.37 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -43.28 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.8 -36.22 75.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.042 0.448 . . . . 0.0 111.191 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.542 HG23 ' O ' ' C' ' 612' ' ' LEU . 84.8 t -64.32 -50.05 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -38.94 92.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.24 -38.47 85.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.49 ' HG ' ' HE ' ' A' ' 620' ' ' ARG . 0.2 OUTLIER -58.07 -47.03 84.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.493 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -56.34 -43.8 79.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.12 75.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.56 -42.6 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 111.609 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.408 HG13 ' O ' ' C' ' 619' ' ' LEU . 9.6 mt -64.82 -36.6 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.201 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.57 -52.74 59.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -47.98 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.69 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 27.7 mtt -56.61 -41.62 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.7 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 2.2 tmtm? -65.76 -40.84 92.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.056 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.76 -39.42 93.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -47.57 78.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.415 HE22 ' HG2' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -64.07 -43.52 95.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -43.55 98.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -41.08 97.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.022 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.627 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.5 mt-10 -66.09 -41.27 90.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.065 0.46 . . . . 0.0 111.904 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' B' ' 633' ' ' GLU . 16.2 mt -62.09 -48.1 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.15 -44.68 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.4 -44.65 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' B' ' 637' ' ' LEU . 0.3 OUTLIER -60.03 -42.27 94.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 179.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.649 ' HG ' HD13 ' B' ' 637' ' ' LEU . 10.5 mt -61.73 -47.77 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.32 -38.29 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.763 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -43.3 85.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.41 HD21 ' HE2' ' C' ' 645' ' ' LYS . 4.5 tt -61.12 -41.8 97.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.778 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.4 80.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.502 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.34 -43.87 93.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.153 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -34.19 76.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' C' ' 649' ' ' LEU . 9.1 mttt -65.3 -37.15 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' C' ' 649' ' ' LEU . 8.7 mtmm -66.01 -50.94 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.246 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 3.6 mt -60.92 -43.21 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.072 0.463 . . . . 0.0 111.215 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.487 HH12 HD21 ' C' ' 649' ' ' LEU . 3.3 tmm_? -61.44 -34.8 76.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' C' ' 645' ' ' LYS . 47.4 mt -61.69 -44.99 95.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.46 -34.06 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.581 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.25 -43.13 99.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.17 -36.98 84.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.55 -44.79 96.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.337 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.16 95.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.581 HG23 ' O ' ' C' ' 651' ' ' LEU . 42.5 t -61.67 -43.51 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.28 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -35.37 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.81 68.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 658' ' ' ILE . 10.8 tt -67.03 -30.17 48.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.695 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -70.66 -38.67 73.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.68 81.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.21 -46.19 81.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.326 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.658 HD12 HG13 ' B' ' 658' ' ' ILE . 2.6 tt -59.84 -35.37 74.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.522 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.27 -23.1 47.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.6 m -74.02 -36.79 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.102 -0.952 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -33.04 73.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.035 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.96 88.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.04 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.419 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.39 -37.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.71 -51.14 70.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.739 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -45.99 74.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.501 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 616' ' ' VAL . 4.5 mt -61.38 -38.27 86.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.097 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.484 ' HA ' HD21 ' C' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.89 85.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.04 88.13 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.646 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.42 -35.64 79.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.999 0.428 . . . . 0.0 111.17 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 612' ' ' LEU . 93.3 t -66.53 -47.96 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.6 -41.59 98.3 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.34 -28.48 66.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.56 -40.67 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.579 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.4 OUTLIER -63.21 -38.14 89.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.89 72.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.13 -48.18 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.591 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 627' ' ' LYS . 2.3 mt -64.0 -37.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.248 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.82 -44.93 88.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 39.1 p -68.76 -48.24 64.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.981 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 3.0 mtt -57.67 -39.72 77.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.92 -36.27 81.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.068 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.18 -43.39 70.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.808 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -33.26 74.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.81 97.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.977 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.79 -47.4 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.044 0.449 . . . . 0.0 111.89 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.658 HG22 HD13 ' A' ' 638' ' ' LEU . 9.9 mt -57.21 -47.1 84.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.113 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.402 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.26 -35.47 79.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' B' ' 637' ' ' LEU . 2.2 mt -68.99 -42.39 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.744 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 634' ' ' ILE . 1.2 mt -61.28 -42.6 98.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.2 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.59 -37.5 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -46.49 88.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.581 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -61.97 -40.68 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.739 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . 0.523 ' O ' ' HG3' ' A' ' 646' ' ' LYS . 0.1 OUTLIER -59.23 -45.56 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.49 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.574 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 1.3 tt0 -62.53 -37.98 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.216 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.95 92.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.52 -35.47 81.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.574 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 10.2 mtmm -63.06 -57.78 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.275 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 643' ' ' GLU . 2.9 mp -62.29 -34.59 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 0.0 111.157 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -44.0 85.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.033 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.88 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.713 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.86 -29.39 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.699 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.664 HD21 HD21 ' C' ' 651' ' ' LEU . 0.3 OUTLIER -64.47 -48.67 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -37.74 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mtt -64.93 -36.66 85.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.265 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -66.29 -47.36 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.511 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.83 -38.62 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.203 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.54 -49.33 73.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.727 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' B' ' 659' ' ' LYS . 16.3 tt -67.23 -32.55 58.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.662 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.689 ' HA ' HD11 ' C' ' 658' ' ' ILE . 2.6 tptt -60.79 -49.6 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.861 0.362 . . . . 0.0 111.088 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.54 -42.35 78.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.43 75.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.387 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.403 ' HG ' ' HZ2' ' C' ' 665' ' ' LYS . 0.8 OUTLIER -69.98 -35.87 74.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -86.8 -16.69 35.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.735 0.302 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.97 72.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.97 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.16 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.417 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.32 -37.66 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.569 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.58 -51.18 70.49 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.183 0.516 . . . . 0.0 111.771 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -45.88 75.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.485 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.59 ' O ' HG23 ' B' ' 616' ' ' VAL . 4.5 mt -61.4 -38.27 86.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.796 0.331 . . . . 0.0 111.087 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.496 ' HA ' HD21 ' A' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.83 85.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -44.96 88.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.617 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.46 -35.57 79.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 612' ' ' LEU . 93.8 t -66.57 -47.91 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.74 -41.5 98.02 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.331 -179.736 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.28 -28.52 66.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.67 -40.57 97.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.555 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.4 OUTLIER -63.2 -38.16 90.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.93 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.1 -48.17 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.584 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' B' ' 627' ' ' LYS . 2.3 mt -64.02 -37.83 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.159 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.79 -45.0 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 39.0 p -68.7 -48.32 64.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.968 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 3.0 mtt -57.53 -39.84 77.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' B' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.33 77.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.98 -36.24 81.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.078 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.16 -43.34 71.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -33.29 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.8 97.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.998 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.83 -47.32 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.666 HG22 HD13 ' B' ' 638' ' ' LEU . 9.8 mt -57.25 -47.08 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.138 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.402 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.18 -35.49 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.598 ' HB3' HD22 ' A' ' 637' ' ' LEU . 2.2 mt -69.01 -42.34 76.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.666 HD13 HG22 ' B' ' 634' ' ' ILE . 1.2 mt -61.27 -42.71 99.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.107 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.4 -37.62 87.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -46.44 89.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.581 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.03 -40.68 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.766 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' B' ' 646' ' ' LYS . 0.1 OUTLIER -59.22 -45.55 90.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.507 -179.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.559 ' HA ' ' HE2' ' B' ' 646' ' ' LYS . 1.3 tt0 -62.47 -38.04 88.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.264 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -39.0 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -64.58 -35.38 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.7 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 10.2 mtmm -63.25 -57.68 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.466 HD12 ' O ' ' B' ' 643' ' ' GLU . 2.9 mp -62.25 -34.67 65.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.969 0.414 . . . . 0.0 111.156 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -43.98 85.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.89 91.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -63.87 -29.43 70.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.662 HD21 HD21 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.38 -48.71 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.756 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -37.84 76.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.18 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.4 mtt -64.86 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.335 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -66.35 -47.31 73.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.493 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.6 t -59.91 -38.54 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -69.95 -37.39 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.56 -49.19 74.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' C' ' 659' ' ' LYS . 16.3 tt -67.36 -32.48 57.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.706 ' HA ' HD11 ' A' ' 658' ' ' ILE . 2.6 tptt -60.85 -49.57 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.55 -42.32 78.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.956 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.54 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.377 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -35.85 74.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -86.87 -16.58 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.695 0.284 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -33.0 73.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.97 88.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.16 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.471 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.36 -37.56 80.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.549 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.66 -51.12 70.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 111.738 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -45.97 75.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.484 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.584 ' O ' HG23 ' C' ' 616' ' ' VAL . 4.5 mt -61.35 -38.35 86.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.089 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.491 ' HA ' HD21 ' B' ' 612' ' ' LEU . 20.1 ttm180 -59.48 -39.88 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.031 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -45.05 87.97 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.619 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.41 -35.63 79.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.03 0.443 . . . . 0.0 111.171 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.584 HG23 ' O ' ' C' ' 612' ' ' LEU . 93.2 t -66.61 -47.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -41.56 98.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.36 -28.44 66.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.594 ' HB3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.62 -40.69 97.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.573 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.4 OUTLIER -63.08 -38.26 90.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -31.93 72.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.16 -48.11 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.615 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 2.3 mt -64.0 -37.81 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.22 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -64.8 -44.92 88.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.257 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 38.8 p -68.77 -48.29 64.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 3.0 mtt -57.57 -39.8 77.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.0 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.9 -36.27 81.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.19 -43.36 70.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -33.26 74.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -42.92 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.013 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.91 -47.27 81.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 0.0 111.872 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.67 HG22 HD13 ' C' ' 638' ' ' LEU . 9.9 mt -57.31 -47.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.07 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -43.47 98.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.467 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.21 -35.46 78.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.597 ' HB3' HD22 ' B' ' 637' ' ' LEU . 2.2 mt -69.05 -42.4 76.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.711 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.67 HD13 HG22 ' C' ' 634' ' ' ILE . 1.2 mt -61.26 -42.67 99.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.163 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.47 -37.51 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -46.51 88.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.02 -40.53 96.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.772 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' C' ' 646' ' ' LYS . 0.1 OUTLIER -59.38 -45.5 91.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.476 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.565 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 1.3 tt0 -62.56 -37.97 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.205 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.96 92.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.49 -35.47 81.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.779 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.565 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 10.2 mtmm -63.26 -57.62 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.468 HD12 ' O ' ' C' ' 643' ' ' GLU . 2.9 mp -62.26 -34.71 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -43.96 85.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.83 91.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.95 -29.35 70.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.664 HD21 HD21 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.46 -48.68 74.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.758 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -37.76 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.5 mtt -64.9 -36.7 85.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -66.26 -47.39 73.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.507 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 16.6 t -59.86 -38.56 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.193 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -69.83 -37.48 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.48 -49.26 74.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.689 HD11 ' HA ' ' A' ' 659' ' ' LYS . 16.3 tt -67.34 -32.5 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.71 ' HA ' HD11 ' B' ' 658' ' ' ILE . 2.6 tptt -60.88 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.48 -42.47 78.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.44 75.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.337 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.97 -35.97 74.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -86.81 -16.67 35.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -51.53 24.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.992 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.403 ' HZ2' ' HG ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.67 -35.65 81.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.66 -34.73 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.73 81.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.428 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.4 ' H ' HG21 ' A' ' 609' ' ' VAL . 2.1 t -68.86 -31.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -48.2 80.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.143 0.497 . . . . 0.0 111.743 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.406 ' HB3' HH22 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -60.18 -39.51 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.444 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.552 HD22 HG23 ' B' ' 616' ' ' VAL . 3.0 mt -64.34 -37.52 87.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.081 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.403 HH22 ' HB3' ' C' ' 611' ' ' GLU . 10.8 ttm180 -64.4 -37.04 86.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.997 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.52 69.03 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.7 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.476 ' O ' HD13 ' A' ' 619' ' ' LEU . 3.0 tt0 -63.73 -38.38 90.88 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.189 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.545 HG23 HD22 ' C' ' 612' ' ' LEU . 75.8 t -66.66 -45.22 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -49.98 75.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.366 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.1 mt-10 -65.48 -29.26 69.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 615' ' ' GLN . 0.0 OUTLIER -61.07 -50.2 74.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.01 76.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.986 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.605 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 618' ' ' GLU . 96.8 mt -62.43 -49.55 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.631 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.546 HG21 ' SD ' ' C' ' 626' ' ' MET . 5.4 mt -62.52 -35.3 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.41 -45.73 75.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.0 p -68.32 -43.09 78.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.554 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 54.3 mtt -65.3 -36.21 83.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.555 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.19 99.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.64 -34.21 76.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.05 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.55 -46.75 75.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.435 ' O ' HG13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -66.56 -36.6 83.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.651 ' HZ3' ' HG3' ' C' ' 633' ' ' GLU . 2.5 mmpt? -65.42 -41.53 93.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.06 93.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.992 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.66 ' HG3' ' HZ3' ' B' ' 631' ' ' LYS . 3.3 mm-40 -62.46 -39.69 94.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 111.823 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.442 HD12 ' HE2' ' A' ' 631' ' ' LYS . 32.4 mt -62.66 -40.57 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.058 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.486 ' HE3' ' N ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -61.58 -41.43 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 -179.494 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.46 -38.19 90.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.005 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.95 -41.84 81.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 635' ' ' LYS . 4.3 mt -63.1 -41.95 99.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.91 93.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -40.37 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.023 0.44 . . . . 0.0 110.908 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.78 -42.92 85.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.807 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -40.15 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.414 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.12 -32.46 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.275 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.655 ' HG2' ' HD3' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.74 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.879 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.654 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 3.6 mmtt -71.03 -37.86 72.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.694 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 10.2 mtmm -64.2 -50.05 69.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.0 mt -64.16 -38.94 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 121.04 0.448 . . . . 0.0 111.16 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.601 ' HD3' ' HA ' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.8 -45.88 92.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -41.53 80.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 2.5 mtm-85 -60.86 -33.69 73.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.702 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.634 HD23 ' HA ' ' B' ' 652' ' ' GLN . 0.2 OUTLIER -63.46 -49.21 74.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.619 ' HA ' HD23 ' C' ' 651' ' ' LEU . 0.2 OUTLIER -61.75 -39.04 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.163 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.78 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.304 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.28 -43.84 96.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.52 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.539 HG23 HD23 ' C' ' 651' ' ' LEU . 46.2 t -57.49 -46.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.31 -29.22 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.6 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.774 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.524 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 5.6 tt -64.51 -26.82 41.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.656 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.516 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 5.4 tptt -69.1 -40.74 78.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -41.62 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.932 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.81 69.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.303 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.715 HD13 HD13 ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.79 85.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -83.58 -20.55 33.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.723 0.297 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.54 -35.7 81.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.64 74.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.8 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.85 -31.63 51.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -48.07 81.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.159 0.504 . . . . 0.0 111.839 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.406 ' HB3' HH22 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -60.32 -39.47 87.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 179.414 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.535 HD22 HG23 ' C' ' 616' ' ' VAL . 3.0 mt -64.26 -37.54 87.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.406 HH22 ' HB3' ' A' ' 611' ' ' GLU . 10.8 ttm180 -64.4 -37.03 86.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.56 68.9 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.634 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.494 ' O ' HD13 ' B' ' 619' ' ' LEU . 3.0 tt0 -63.74 -38.43 91.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.552 HG23 HD22 ' A' ' 612' ' ' LEU . 75.5 t -66.63 -45.11 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -50.01 75.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.313 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.633 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.1 mt-10 -65.43 -29.29 69.96 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.945 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.494 HD13 ' O ' ' B' ' 615' ' ' GLN . 0.0 OUTLIER -61.14 -50.11 74.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -39.02 76.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 28.9 t -67.49 -32.89 74.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 618' ' ' GLU . 96.8 mt -62.45 -49.51 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.598 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.538 HG21 ' SD ' ' A' ' 626' ' ' MET . 5.5 mt -62.54 -35.44 70.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.164 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.29 -45.78 75.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 14.9 p -68.26 -43.11 78.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.999 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.554 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 54.2 mtt -65.21 -36.21 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.554 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.29 99.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.63 -34.16 76.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.56 -46.77 74.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.804 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.44 ' O ' HG13 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -66.57 -36.63 83.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.66 ' HZ3' ' HG3' ' A' ' 633' ' ' GLU . 2.5 mmpt? -65.46 -41.44 93.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.07 93.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.964 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.663 ' HG3' ' HZ3' ' C' ' 631' ' ' LYS . 3.3 mm-40 -62.42 -39.66 94.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.075 0.464 . . . . 0.0 111.881 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.444 HD12 ' HE2' ' B' ' 631' ' ' LYS . 32.9 mt -62.77 -40.57 89.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.475 ' N ' ' HE3' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 -179.551 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.9 -41.81 82.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.73 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' B' ' 635' ' ' LYS . 4.3 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -43.96 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.752 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -40.38 95.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -42.88 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.777 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.44 -40.15 95.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.494 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.15 -32.47 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.226 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.66 ' HG2' ' HD3' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -70.67 -32.72 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.893 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.655 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 3.6 mmtt -71.01 -37.79 72.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 10.2 mtmm -64.27 -50.06 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.16 -38.93 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 111.187 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.606 ' HA ' ' HD3' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.73 -45.98 92.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.018 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -41.59 80.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 2.5 mtm-85 -60.89 -33.71 73.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' C' ' 652' ' ' GLN . 0.2 OUTLIER -63.42 -49.21 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.634 ' HA ' HD23 ' A' ' 651' ' ' LEU . 0.2 OUTLIER -61.76 -39.02 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.166 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.76 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.353 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.27 -43.75 97.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.531 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.554 HG23 HD23 ' A' ' 651' ' ' LEU . 46.4 t -57.63 -46.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.35 -29.12 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -54.51 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.525 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 5.6 tt -64.42 -26.9 41.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.663 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.524 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 5.4 tptt -69.06 -40.77 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -41.66 98.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.8 85.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.64 -20.56 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.61 -35.65 81.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.63 -34.75 74.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.61 -35.76 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.394 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.85 -31.59 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.38 -48.12 81.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.153 0.502 . . . . 0.0 111.784 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.403 ' HB3' HH22 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.5 179.416 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 616' ' ' VAL . 3.0 mt -64.3 -37.49 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 111.126 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.406 HH22 ' HB3' ' B' ' 611' ' ' GLU . 10.8 ttm180 -64.43 -37.06 86.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -48.62 68.78 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.596 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.485 ' O ' HD13 ' C' ' 619' ' ' LEU . 3.0 tt0 -63.66 -38.38 90.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.992 0.425 . . . . 0.0 111.186 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.535 HG23 HD22 ' B' ' 612' ' ' LEU . 75.1 t -66.65 -45.19 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -50.01 75.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.276 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.647 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.1 mt-10 -65.49 -29.31 69.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.485 HD13 ' O ' ' C' ' 615' ' ' GLN . 0.0 OUTLIER -61.11 -50.22 74.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -39.07 76.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.647 HG13 ' O ' ' C' ' 618' ' ' GLU . 96.8 mt -62.45 -49.48 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.645 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.545 HG21 ' SD ' ' B' ' 626' ' ' MET . 5.5 mt -62.63 -35.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.195 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.39 -45.76 75.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.191 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 14.8 p -68.28 -43.13 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 54.2 mtt -65.19 -36.19 83.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.554 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 0.0 OUTLIER -62.82 -43.36 99.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -67.45 -34.21 76.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -66.63 -46.69 74.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.436 ' O ' HG13 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -66.58 -36.66 83.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.663 ' HZ3' ' HG3' ' B' ' 633' ' ' GLU . 2.5 mmpt? -65.34 -41.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -41.98 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.018 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.651 ' HG3' ' HZ3' ' A' ' 631' ' ' LYS . 3.3 mm-40 -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.84 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.445 HD12 ' HE2' ' C' ' 631' ' ' LYS . 32.4 mt -62.65 -40.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.127 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.483 ' HE3' ' N ' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -61.6 -41.45 97.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.473 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.4 -38.27 90.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.0 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.94 -41.8 81.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.754 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' C' ' 635' ' ' LYS . 4.3 mt -63.19 -41.91 99.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -43.85 93.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -40.28 95.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -42.93 84.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.788 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -40.05 95.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.567 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.22 -32.53 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.186 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.654 ' HG2' ' HD3' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.73 70.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.66 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 3.6 mmtt -70.95 -37.87 72.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 10.2 mtmm -64.23 -50.1 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.08 -39.04 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.022 0.439 . . . . 0.0 111.201 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.606 ' HD3' ' HA ' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.72 -45.88 92.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -41.62 80.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.775 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 2.5 mtm-85 -60.85 -33.83 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 652' ' ' GLN . 0.2 OUTLIER -63.3 -49.27 74.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.785 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.61 ' HA ' HD23 ' B' ' 651' ' ' LEU . 0.2 OUTLIER -61.69 -39.08 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.202 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.73 -43.6 98.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.24 -43.83 96.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.547 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.551 HG23 HD23 ' B' ' 651' ' ' LEU . 46.2 t -57.52 -46.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.27 -29.22 70.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.65 13.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.752 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.516 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 5.6 tt -64.49 -26.76 41.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.656 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.525 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 5.4 tptt -69.17 -40.71 77.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -41.71 98.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.8 69.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.298 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.712 HD13 HD13 ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.71 -37.82 85.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -83.54 -20.62 33.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.11 -56.42 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.402 ' HE2' HD23 ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.31 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.99 -43.02 72.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.37 95.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 51.6 t -72.9 -34.0 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.57 63.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 111.769 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.27 -39.01 93.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.506 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -67.42 -41.92 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.063 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.578 ' HA ' HD11 ' C' ' 612' ' ' LEU . 3.9 tpp180 -62.29 -41.12 98.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.027 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 38.6 p -67.31 -37.41 83.31 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -69.44 -41.15 76.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 111.107 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 612' ' ' LEU . 45.8 t -71.08 -40.03 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -61.78 -49.11 77.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.284 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 622' ' ' ILE . 2.6 mm-40 -64.65 -42.01 95.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' B' ' 620' ' ' ARG . 5.7 tp -59.38 -41.22 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.498 ' HA ' HD12 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -59.14 -41.63 88.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.76 -34.81 78.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.599 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 618' ' ' GLU . 31.2 mt -69.68 -31.49 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.584 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 619' ' ' LEU . 0.8 OUTLIER -67.98 -49.17 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.242 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -61.76 -43.56 98.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 34.9 m -67.84 -40.81 83.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.011 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.584 ' HG3' ' HG3' ' B' ' 627' ' ' LYS . 14.3 ttm -68.2 -38.38 81.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.599 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 9.1 tttt -65.4 -48.69 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -32.81 71.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.076 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 625' ' ' THR . 1.9 mt-30 -65.14 -43.13 92.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.544 ' HG2' ' N ' ' A' ' 631' ' ' LYS . 0.4 OUTLIER -67.8 -36.74 80.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.593 ' O ' HG13 ' A' ' 634' ' ' ILE . 10.5 mttm -68.23 -39.02 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.32 -41.85 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.935 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.41 -51.63 64.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.129 0.49 . . . . 0.0 111.89 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.3 pp -61.58 -36.19 71.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.15 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.69 -42.63 99.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.411 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -42.02 91.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.016 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.688 ' HG ' HD22 ' B' ' 638' ' ' LEU . 1.8 mt -62.06 -41.11 97.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.691 HD22 ' HG ' ' C' ' 637' ' ' LEU . 9.7 mt -62.5 -38.83 91.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.06 -44.02 90.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.848 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -37.0 80.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.799 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -38.3 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.578 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.3 -45.45 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.252 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.61 ' HG3' ' HD3' ' B' ' 645' ' ' LYS . 3.2 tt0 -68.38 -22.55 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.941 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.61 ' HD3' ' HG3' ' C' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.28 3.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.716 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.62 -44.38 85.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.529 HD13 HH12 ' A' ' 650' ' ' ARG . 0.5 OUTLIER -64.16 -38.9 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.062 0.458 . . . . 0.0 111.241 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.62 HH12 HD13 ' A' ' 649' ' ' LEU . 7.4 tmm_? -64.98 -41.56 95.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . 0.62 HD13 HH12 ' A' ' 648' ' ' ARG . 0.2 OUTLIER -64.57 -41.41 96.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.529 HH12 HD13 ' A' ' 647' ' ' ILE . 0.4 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.737 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' B' ' 652' ' ' GLN . 23.0 tp -66.35 -37.66 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.724 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.448 ' HA ' HD13 ' C' ' 651' ' ' LEU . 6.5 mm-40 -57.8 -44.2 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.186 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.29 -44.45 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.84 -47.96 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.489 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 20.3 t -58.6 -37.86 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.101 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -45.14 93.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.746 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.478 ' CD1' ' HG2' ' B' ' 659' ' ' LYS . 1.3 mt -69.14 -32.28 53.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.642 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.558 ' HD2' HE21 ' A' ' 663' ' ' GLN . 0.5 OUTLIER -68.31 -49.44 60.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.4 93.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.81 76.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.345 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.539 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . 0.558 HE21 ' HD2' ' A' ' 659' ' ' LYS . 5.3 mt-30 -82.87 -19.8 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.9 -43.14 72.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.17 -34.95 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.34 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.428 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 51.2 t -72.85 -34.1 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.617 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.54 63.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 111.815 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -39.06 93.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.44 -41.89 84.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 111.14 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.57 ' HA ' HD11 ' A' ' 612' ' ' LEU . 3.9 tpp180 -62.16 -41.31 98.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.43 83.68 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.694 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -69.4 -41.16 76.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.146 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 612' ' ' LEU . 45.9 t -71.1 -39.97 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -61.78 -49.14 77.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.299 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.465 ' O ' HG13 ' B' ' 622' ' ' ILE . 2.7 mm-40 -64.59 -42.07 95.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' C' ' 620' ' ' ARG . 5.7 tp -59.37 -41.18 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.507 ' HA ' HD12 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -59.17 -41.66 88.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.63 -34.92 78.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 618' ' ' GLU . 31.3 mt -69.64 -31.52 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.556 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.44 HD13 ' O ' ' B' ' 619' ' ' LEU . 0.8 OUTLIER -67.99 -49.2 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.319 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 625' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 35.4 m -67.8 -40.83 83.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.032 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.592 ' HG3' ' HG3' ' C' ' 627' ' ' LYS . 14.3 ttm -68.15 -38.42 82.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.584 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 9.2 tttt -65.45 -48.7 71.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.052 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -32.91 71.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.065 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' B' ' 625' ' ' THR . 1.9 mt-30 -65.16 -43.15 92.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.551 ' HG2' ' N ' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -67.85 -36.65 80.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.593 ' O ' HG13 ' B' ' 634' ' ' ILE . 10.4 mttm -68.19 -39.11 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -66.25 -41.82 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.978 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.53 -51.47 65.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.03 0.443 . . . . 0.0 111.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.593 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.3 pp -61.69 -36.21 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.079 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.491 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -41.95 91.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.674 ' HG ' HD22 ' C' ' 638' ' ' LEU . 1.8 mt -62.07 -41.29 98.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.688 HD22 ' HG ' ' A' ' 637' ' ' LEU . 9.8 mt -62.4 -38.82 91.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -46.84 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.985 0.422 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.72 -36.92 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.799 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -38.23 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.491 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.34 -45.41 91.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.241 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.602 ' HG3' ' HD3' ' C' ' 645' ' ' LYS . 3.2 tt0 -68.39 -22.63 64.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.61 ' HD3' ' HG3' ' A' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.31 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.723 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.57 -44.33 85.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.531 HD13 HH12 ' B' ' 650' ' ' ARG . 0.5 OUTLIER -64.2 -38.95 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.065 0.46 . . . . 0.0 111.186 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.625 HH12 HD13 ' B' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.048 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . 0.625 HD13 HH12 ' B' ' 648' ' ' ARG . 0.2 OUTLIER -64.56 -41.37 96.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.531 HH12 HD13 ' B' ' 647' ' ' ILE . 0.4 OUTLIER -61.33 -42.06 98.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' C' ' 652' ' ' GLN . 23.1 tp -66.39 -37.62 85.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.429 ' HA ' HD13 ' A' ' 651' ' ' LEU . 6.5 mm-40 -57.82 -44.28 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.141 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.16 -44.51 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.362 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -47.95 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.545 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 20.0 t -58.58 -37.79 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 111.22 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.77 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -45.11 93.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.477 ' CD1' ' HG2' ' C' ' 659' ' ' LYS . 1.3 mt -69.07 -32.33 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.65 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.567 ' HD2' HE21 ' B' ' 663' ' ' GLN . 0.5 OUTLIER -68.24 -49.41 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 111.109 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -45.45 93.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.86 76.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.467 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . 0.567 HE21 ' HD2' ' B' ' 659' ' ' LYS . 5.2 mt-30 -82.79 -19.84 36.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.91 -43.11 72.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.94 79.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.41 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.389 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 51.9 t -72.85 -34.12 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.39 -52.44 63.59 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.129 0.49 . . . . 0.0 111.783 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.23 -39.15 93.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.432 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.38 -41.88 84.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.722 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.577 ' HA ' HD11 ' B' ' 612' ' ' LEU . 3.9 tpp180 -62.21 -41.29 98.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.44 83.71 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.69 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -69.41 -41.18 76.74 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.981 0.42 . . . . 0.0 111.145 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.429 HG22 ' O ' ' C' ' 612' ' ' LEU . 46.1 t -71.07 -40.05 75.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -49.16 77.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.333 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.473 ' O ' HG13 ' C' ' 622' ' ' ILE . 2.6 mm-40 -64.59 -42.06 95.84 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 620' ' ' ARG . 5.8 tp -59.37 -41.14 88.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.039 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -59.11 -41.79 88.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.67 -34.78 78.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.602 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.473 HG13 ' O ' ' C' ' 618' ' ' GLU . 31.1 mt -69.68 -31.53 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.443 HD13 ' O ' ' C' ' 619' ' ' LEU . 0.8 OUTLIER -67.94 -49.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.292 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -61.76 -43.54 98.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 625' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 35.0 m -67.82 -40.85 83.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.035 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.599 ' HG3' ' HG3' ' A' ' 627' ' ' LYS . 14.2 ttm -68.06 -38.45 82.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.592 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 9.1 tttt -65.44 -48.72 71.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -32.88 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' C' ' 625' ' ' THR . 1.9 mt-30 -65.1 -43.13 93.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.556 ' HG2' ' N ' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -67.83 -36.69 80.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.587 ' O ' HG13 ' C' ' 634' ' ' ILE . 10.4 mttm -68.18 -39.11 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.23 -41.82 89.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.008 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.49 -51.52 65.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.858 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.587 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.3 pp -61.64 -36.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.039 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.52 -42.68 99.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.51 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.03 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.96 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.691 ' HG ' HD22 ' A' ' 638' ' ' LEU . 1.8 mt -61.99 -41.23 97.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.674 HD22 ' HG ' ' B' ' 637' ' ' LEU . 9.7 mt -62.41 -38.87 91.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -46.84 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.777 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -43.93 90.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -36.89 80.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.769 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -38.17 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.47 -45.31 91.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.208 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.61 ' HG3' ' HD3' ' A' ' 645' ' ' LYS . 3.2 tt0 -68.48 -22.61 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.602 ' HD3' ' HG3' ' B' ' 644' ' ' GLU . 2.8 mmtm -70.36 -58.23 3.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.66 -44.38 85.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.524 HD13 HH12 ' C' ' 650' ' ' ARG . 0.5 OUTLIER -64.14 -39.0 83.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.168 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.633 HH12 HD13 ' C' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.49 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . 0.633 HD13 HH12 ' C' ' 648' ' ' ARG . 0.2 OUTLIER -64.62 -41.37 96.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.735 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.524 HH12 HD13 ' C' ' 647' ' ' ILE . 0.4 OUTLIER -61.27 -42.1 98.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.724 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 652' ' ' GLN . 23.1 tp -66.43 -37.62 85.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.442 ' HA ' HD13 ' B' ' 651' ' ' LEU . 6.5 mm-40 -57.78 -44.23 86.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.23 -44.48 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.294 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -47.93 83.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.491 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 20.0 t -58.59 -37.86 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.153 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.79 95.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 659' ' ' LYS . 1.3 mt -69.11 -32.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.666 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.564 ' HD2' HE21 ' C' ' 663' ' ' GLN . 0.5 OUTLIER -68.23 -49.39 61.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.86 76.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.392 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . 0.564 HE21 ' HD2' ' C' ' 659' ' ' LYS . 5.2 mt-30 -82.88 -19.86 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.798 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -54.16 7.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.414 ' HA ' HE21 ' B' ' 606' ' ' GLN . 19.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' A' ' 610' ' ' GLU . 1.3 mm-40 -71.26 -33.35 69.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.45 93.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.1 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.432 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.83 -35.87 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 606' ' ' GLN . 3.9 mm-40 -62.7 -43.65 98.25 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.162 0.505 . . . . 0.0 111.75 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' B' ' 613' ' ' ARG . 0.2 OUTLIER -62.99 -42.49 99.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.4 mt -65.07 -35.8 82.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.111 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.817 ' HA ' HD21 ' C' ' 612' ' ' LEU . 18.3 ttm180 -64.82 -39.93 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -44.05 85.28 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.607 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.34 -41.42 80.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.177 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.679 HG23 HD22 ' C' ' 612' ' ' LEU . 40.0 t -59.71 -44.36 93.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.08 -43.63 98.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.317 -179.655 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.36 -35.3 80.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.422 HD23 HD12 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.93 -43.41 94.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.71 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.52 84.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -29.95 68.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.61 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.37 -49.02 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.9 mt -59.38 -43.88 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.84 -45.7 92.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.271 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.66 -42.73 98.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.413 ' SD ' HG23 ' B' ' 623' ' ' ILE . 19.1 mtt -63.8 -37.31 86.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.431 ' HD3' ' NE2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -69.63 -37.49 76.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.49 91.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -64.82 -50.43 66.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.422 ' NE2' ' HD3' ' B' ' 627' ' ' LYS . 0.7 OUTLIER -63.55 -40.92 98.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.527 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 0.2 OUTLIER -58.18 -44.57 88.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.978 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -36.89 83.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.065 0.46 . . . . 0.0 111.893 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.647 HG22 HD11 ' A' ' 638' ' ' LEU . 5.6 mt -65.34 -35.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.105 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -64.81 -43.0 94.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.417 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -64.73 -39.38 93.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' B' ' 637' ' ' LEU . 1.3 mt -63.27 -42.93 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.647 HD11 HG22 ' A' ' 634' ' ' ILE . 8.3 mt -63.69 -44.69 92.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.169 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -40.22 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.781 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . 0.472 ' O ' ' HE2' ' A' ' 646' ' ' LYS . 0.8 OUTLIER -61.21 -36.74 80.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.544 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.416 ' CD ' HD11 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -67.81 -40.28 83.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.289 179.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -63.25 -37.32 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.87 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.576 ' HA ' ' OE2' ' C' ' 644' ' ' GLU . 10.6 mmtt -62.68 -50.67 70.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 642' ' ' ASP . 3.7 mtmm -56.19 -53.91 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.446 HG22 ' HD3' ' B' ' 648' ' ' ARG . 7.5 mt -57.9 -40.77 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.063 0.459 . . . . 0.0 111.199 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.462 ' HD3' HG22 ' C' ' 647' ' ' ILE . 5.0 tmm_? -64.75 -36.22 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.01 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.67 -46.39 85.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.437 ' HD2' ' HA ' ' A' ' 647' ' ' ILE . 5.3 mtt180 -63.3 -31.32 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -62.34 -51.34 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.603 ' HA ' HD23 ' C' ' 651' ' ' LEU . 2.7 tt0 -59.34 -35.38 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.209 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.23 -43.92 93.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.343 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.47 -42.36 99.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 651' ' ' LEU . 28.3 t -63.59 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.58 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.59 64.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.757 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' B' ' 659' ' ' LYS . 8.5 tt -65.21 -36.41 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.636 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.571 ' HA ' HD11 ' C' ' 658' ' ' ILE . 2.2 tptt -60.81 -43.51 98.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.814 0.34 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -45.17 89.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.64 81.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.331 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -29.14 63.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -28.06 38.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.418 ' HA ' HE21 ' C' ' 606' ' ' GLN . 18.8 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.75 0.31 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' B' ' 610' ' ' GLU . 1.3 mm-40 -71.25 -33.24 69.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.44 93.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.24 84.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.82 -35.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' B' ' 606' ' ' GLN . 3.9 mm-40 -62.63 -43.65 98.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.253 0.549 . . . . 0.0 111.782 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.405 ' HB3' ' NH2' ' C' ' 613' ' ' ARG . 0.2 OUTLIER -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.447 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.4 mt -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.831 ' HA ' HD21 ' A' ' 612' ' ' LEU . 18.3 ttm180 -64.79 -40.02 94.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.06 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -44.05 85.71 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.671 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.29 -41.57 80.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.02 0.438 . . . . 0.0 111.163 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.688 HG23 HD22 ' A' ' 612' ' ' LEU . 40.1 t -59.64 -44.3 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.12 -43.59 97.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.311 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.39 -35.26 80.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.408 HD23 HD12 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -60.04 -43.32 95.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.689 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.56 84.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -30.08 69.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 8.6 mt -65.23 -49.14 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.9 mt -59.25 -43.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.243 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.9 -45.74 92.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -42.78 98.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.404 ' SD ' HG23 ' C' ' 623' ' ' ILE . 19.2 mtt -63.72 -37.32 86.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.422 ' HD3' ' NE2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -69.53 -37.59 77.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.077 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.45 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -64.77 -50.52 66.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.422 ' NE2' ' HD3' ' C' ' 627' ' ' LYS . 0.7 OUTLIER -63.51 -40.91 98.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 0.2 OUTLIER -58.06 -44.62 87.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.945 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -36.87 83.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 111.887 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.64 HG22 HD11 ' B' ' 638' ' ' LEU . 5.6 mt -65.31 -35.51 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.057 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -64.67 -43.12 94.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.58 -39.45 93.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.602 ' HB3' HD22 ' A' ' 637' ' ' LEU . 1.3 mt -63.26 -43.0 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.718 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.64 HD11 HG22 ' B' ' 634' ' ' ILE . 8.3 mt -63.61 -44.7 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -43.24 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.7 -43.5 97.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.787 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . 0.472 ' O ' ' HE2' ' B' ' 646' ' ' LYS . 0.8 OUTLIER -61.13 -36.79 80.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.541 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.414 ' CD ' HD11 ' B' ' 647' ' ' ILE . 0.2 OUTLIER -67.87 -40.3 83.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.254 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.561 ' OE2' ' HA ' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -63.18 -37.34 86.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.578 ' HA ' ' OE2' ' A' ' 644' ' ' GLU . 10.6 mmtt -62.72 -50.63 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' B' ' 642' ' ' ASP . 3.7 mtmm -56.34 -53.72 53.98 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.464 HG22 ' HD3' ' C' ' 648' ' ' ARG . 7.5 mt -57.9 -40.89 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 121.103 0.477 . . . . 0.0 111.202 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.446 ' HD3' HG22 ' A' ' 647' ' ' ILE . 5.0 tmm_? -64.6 -36.28 83.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.097 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.57 -46.47 85.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.733 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.422 ' HD2' ' HA ' ' B' ' 647' ' ' ILE . 5.3 mtt180 -63.27 -31.28 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -62.47 -51.29 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.612 ' HA ' HD23 ' A' ' 651' ' ' LEU . 2.7 tt0 -59.41 -35.3 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.152 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.32 -43.99 92.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.27 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.33 -42.43 99.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.533 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 651' ' ' LEU . 27.4 t -63.49 -38.89 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 111.266 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -71.44 -34.35 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -50.58 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' C' ' 659' ' ' LYS . 8.5 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.637 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.588 ' HA ' HD11 ' A' ' 658' ' ' ILE . 2.2 tptt -60.68 -43.6 97.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.772 0.32 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -45.18 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.65 81.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.297 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -29.12 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -28.01 38.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.411 ' HA ' HE21 ' A' ' 606' ' ' GLN . 18.6 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' C' ' 610' ' ' GLU . 1.3 mm-40 -71.27 -33.2 69.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.44 93.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.11 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.85 -35.8 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' C' ' 606' ' ' GLN . 3.9 mm-40 -62.73 -43.63 98.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.407 ' HB3' ' NH2' ' A' ' 613' ' ' ARG . 0.2 OUTLIER -63.09 -42.43 99.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.398 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.817 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.4 mt -65.09 -35.82 82.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.824 ' HA ' HD21 ' B' ' 612' ' ' LEU . 18.3 ttm180 -64.83 -39.91 94.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -44.08 85.2 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.598 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.27 -41.53 80.93 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.056 0.455 . . . . 0.0 111.135 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.665 HG23 HD22 ' B' ' 612' ' ' LEU . 39.8 t -59.79 -44.3 93.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.07 -43.6 98.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.339 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.34 -35.34 80.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.015 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -58.88 -40.5 84.55 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -30.02 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.561 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.3 -49.0 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.025 0.441 . . . . 0.0 111.612 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.9 mt -59.39 -43.96 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.196 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.83 -45.68 92.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.7 -42.74 97.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 19.2 mtt -63.76 -37.34 87.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.422 ' HD3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -69.57 -37.49 77.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -65.76 -39.45 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.997 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -64.83 -50.49 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.758 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.431 ' NE2' ' HD3' ' A' ' 627' ' ' LYS . 0.7 OUTLIER -63.48 -40.93 98.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.966 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' C' ' 631' ' ' LYS . 0.2 OUTLIER -58.09 -44.63 87.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -36.84 83.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.851 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.649 HG22 HD11 ' C' ' 638' ' ' LEU . 5.6 mt -65.38 -35.47 75.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.068 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -64.66 -43.02 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.448 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.73 -39.49 93.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 637' ' ' LEU . 1.3 mt -63.22 -43.01 99.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.796 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.649 HD11 HG22 ' C' ' 634' ' ' ILE . 8.3 mt -63.58 -44.66 93.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.784 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.67 -43.54 97.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.993 0.425 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -40.18 96.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.752 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HE2' ' C' ' 646' ' ' LYS . 0.8 OUTLIER -61.24 -36.76 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.488 -179.322 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.409 ' CD ' HD11 ' C' ' 647' ' ' ILE . 0.2 OUTLIER -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.246 179.254 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -63.2 -37.33 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.561 ' HA ' ' OE2' ' B' ' 644' ' ' GLU . 10.6 mmtt -62.67 -50.64 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' C' ' 642' ' ' ASP . 3.7 mtmm -56.36 -53.69 54.42 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.267 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.462 HG22 ' HD3' ' A' ' 648' ' ' ARG . 7.5 mt -57.94 -40.9 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 121.04 0.448 . . . . 0.0 111.117 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.464 ' HD3' HG22 ' B' ' 647' ' ' ILE . 5.0 tmm_? -64.68 -36.21 83.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.018 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.64 -46.44 85.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' C' ' 650' ' ' ARG . 5.3 mtt180 -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.704 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -62.42 -51.31 68.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.608 ' HA ' HD23 ' B' ' 651' ' ' LEU . 2.7 tt0 -59.43 -35.32 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.255 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.22 -43.99 93.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.283 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.45 -42.33 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.515 HG23 ' O ' ' C' ' 651' ' ' LEU . 27.6 t -63.54 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.57 -34.24 69.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.51 64.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 659' ' ' LYS . 8.5 tt -65.33 -36.32 77.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.681 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.577 ' HA ' HD11 ' B' ' 658' ' ' ILE . 2.2 tptt -60.72 -43.59 97.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.836 0.35 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.27 89.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.66 81.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.304 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.489 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 0.0 OUTLIER -72.16 -29.04 63.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.93 37.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m -75.54 -42.98 51.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.2 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.718 0.294 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -46.94 42.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.46 73.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.93 86.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.393 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 605' ' ' SER . 5.8 t -66.46 -44.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -45.98 84.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.192 0.52 . . . . 0.0 111.8 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.85 -32.02 73.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.42 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.472 HD11 HD12 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -66.79 -46.06 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 111.148 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.41 -44.59 92.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.469 ' O ' ' HG3' ' A' ' 618' ' ' GLU . 64.7 p -67.42 -32.83 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.605 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.432 ' HA ' HH12 ' B' ' 620' ' ' ARG . 1.8 mt-30 -62.75 -54.26 41.89 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.429 HG21 HG23 ' B' ' 616' ' ' VAL . 3.1 t -66.96 -33.17 61.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -53.13 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 614' ' ' THR . 76.4 mt-10 -64.76 -41.99 95.48 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.531 HD11 ' HG3' ' B' ' 620' ' ' ARG . 10.2 tp -59.7 -40.13 86.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.532 ' HG3' HD11 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.85 -44.94 91.12 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.978 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.11 -41.05 78.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.634 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 619' ' ' LEU . 46.9 mt -64.79 -37.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.611 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.514 HG12 HD12 ' C' ' 623' ' ' ILE . 0.9 OUTLIER -63.67 -43.25 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.272 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -42.53 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' THR . . . . . 0.65 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 24.4 m -63.22 -43.61 97.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.012 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.5 -36.42 71.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.44 20.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . 0.534 ' HB3' HH21 ' A' ' 632' ' ' ARG . 26.2 m-20 -66.34 -29.87 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' A' ' 625' ' ' THR . 5.9 tt0 -65.02 -44.19 90.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 627' ' ' LYS . 4.5 pt20 -66.42 -35.88 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.474 ' O ' HG13 ' A' ' 634' ' ' ILE . 15.6 mttm -61.85 -47.69 83.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . 0.534 HH21 ' HB3' ' A' ' 628' ' ' ASP . 9.0 mtt180 -67.71 -38.87 84.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.024 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.627 ' HB3' HG23 ' B' ' 634' ' ' ILE . 52.3 mt-10 -58.96 -52.92 63.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' C' ' 633' ' ' GLU . 1.7 pp -68.1 -35.23 70.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.125 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.55 -52.81 63.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.448 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.47 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.784 ' HB3' HD21 ' C' ' 637' ' ' LEU . 0.5 OUTLIER -62.46 -41.51 98.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.607 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.6 -42.37 98.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.811 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.57 -37.17 82.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.008 0.432 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -40.23 80.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.768 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.28 -39.31 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -65.49 -41.51 93.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.217 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.679 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 4.3 tt0 -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.661 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 2.5 mmtt -68.47 -48.1 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -45.03 88.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.263 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 644' ' ' GLU . 4.8 tt -67.08 -36.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.25 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.645 HH11 ' HG3' ' A' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.3 66.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.02 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . 0.418 ' HA ' ' NH1' ' A' ' 648' ' ' ARG . 0.4 OUTLIER -60.74 -41.07 94.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.736 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 647' ' ' ILE . 19.8 mtp180 -59.0 -45.61 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.655 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' B' ' 652' ' ' GLN . 8.7 tp -63.06 -31.45 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.645 ' HG3' HH11 ' A' ' 648' ' ' ARG . 2.7 mm-40 -60.33 -41.86 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.27 89.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 111.363 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 658' ' ' ILE . 16.6 tt0 -62.68 -43.95 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.598 HG12 HG21 ' C' ' 655' ' ' VAL . 81.6 t -57.78 -45.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -38.35 69.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.23 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.741 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.524 HG21 HD13 ' B' ' 662' ' ' LEU . 0.6 OUTLIER -63.01 -34.89 69.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.699 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.439 ' HG2' HD11 ' C' ' 658' ' ' ILE . 0.3 OUTLIER -70.66 -41.27 72.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.048 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -45.65 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.992 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.66 -35.21 70.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.307 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.51 HD13 HG21 ' C' ' 658' ' ' ILE . 1.2 tp -68.03 -31.24 70.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.539 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . 0.428 HE22 ' HZ3' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -80.94 -30.43 35.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.502 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.2 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.729 0.299 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -46.94 42.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.47 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.76 86.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 605' ' ' SER . 5.9 t -66.61 -45.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -46.15 83.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.212 0.53 . . . . 0.0 111.796 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.75 -32.07 73.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.472 HD12 HD11 ' A' ' 612' ' ' LEU . 0.0 OUTLIER -66.78 -46.13 76.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.25 -44.68 92.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 614' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' B' ' 618' ' ' GLU . 64.9 p -67.39 -32.85 74.04 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.608 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.437 ' HA ' HH12 ' C' ' 620' ' ' ARG . 1.8 mt-30 -62.81 -54.13 43.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.018 0.437 . . . . 0.0 111.184 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.442 HG21 HG23 ' C' ' 616' ' ' VAL . 3.1 t -67.03 -33.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -53.02 57.44 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.36 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 614' ' ' THR . 76.4 mt-10 -64.75 -42.08 95.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' C' ' 620' ' ' ARG . 10.3 tp -59.68 -40.23 87.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.531 ' HG3' HD11 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.8 -44.97 90.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -40.97 78.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 619' ' ' LEU . 46.5 mt -64.7 -37.63 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 0.0 111.711 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.513 HD12 HG12 ' C' ' 623' ' ' ILE . 0.9 OUTLIER -63.81 -43.13 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.14 -42.57 88.93 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 625' ' ' THR . . . . . 0.649 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 24.2 m -63.11 -43.68 97.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.48 -36.39 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.55 19.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . 0.544 ' HB3' HH21 ' B' ' 632' ' ' ARG . 26.2 m-20 -66.18 -29.99 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.017 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.649 ' HB2' ' O ' ' B' ' 625' ' ' THR . 5.9 tt0 -64.97 -44.15 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.762 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 4.5 pt20 -66.5 -35.86 81.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.475 ' O ' HG13 ' B' ' 634' ' ' ILE . 15.6 mttm -61.81 -47.72 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.544 HH21 ' HB3' ' B' ' 628' ' ' ASP . 9.0 mtt180 -67.67 -38.93 84.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.953 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.617 ' HB3' HG23 ' C' ' 634' ' ' ILE . 52.4 mt-10 -58.91 -52.99 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 111.894 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.627 HG23 ' HB3' ' A' ' 633' ' ' GLU . 1.7 pp -68.12 -35.19 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.132 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.51 -52.83 63.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.479 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.53 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' C' ' 637' ' ' LEU . 0.5 OUTLIER -62.38 -41.51 98.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -66.67 -38.08 86.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.735 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.55 -42.4 98.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.786 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.5 -37.29 82.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -40.28 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.767 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.32 -39.3 85.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.471 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -65.53 -41.4 93.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.28 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.667 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 4.2 tt0 -71.95 -28.81 63.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.679 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 2.5 mmtt -68.49 -48.07 65.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.0 88.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' B' ' 644' ' ' GLU . 4.8 tt -67.14 -36.88 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 111.245 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.643 HH11 ' HG3' ' B' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.34 66.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.044 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . 0.416 ' HA ' ' NH1' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.67 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.735 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' B' ' 647' ' ' ILE . 19.9 mtp180 -58.99 -45.57 90.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' C' ' 652' ' ' GLN . 8.7 tp -63.12 -31.41 72.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.643 ' HG3' HH11 ' B' ' 648' ' ' ARG . 2.7 mm-40 -60.36 -41.84 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.149 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.34 -40.29 89.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.358 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.443 ' O ' HG13 ' B' ' 658' ' ' ILE . 16.5 tt0 -62.71 -43.88 97.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.497 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.594 HG21 HG12 ' C' ' 655' ' ' VAL . 81.5 t -57.78 -45.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.22 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -38.3 69.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.54 -47.26 82.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.679 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.527 HG21 HD13 ' C' ' 662' ' ' LEU . 0.6 OUTLIER -63.04 -34.87 69.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.688 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.431 ' HG2' HD11 ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.67 -41.21 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -45.61 84.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.344 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.524 HD13 HG21 ' A' ' 658' ' ' ILE . 1.2 tp -68.0 -31.23 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.571 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . 0.425 HE22 ' HZ3' ' B' ' 659' ' ' LYS . 0.0 OUTLIER -80.97 -30.4 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.497 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.2 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -47.03 41.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.39 72.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.77 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.439 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.497 HG23 ' O ' ' C' ' 605' ' ' SER . 5.8 t -66.55 -44.94 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -46.11 84.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 111.752 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 -32.07 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.47 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.462 HD12 HD11 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -66.79 -46.15 76.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.79 0.329 . . . . 0.0 111.113 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.21 -44.68 92.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 614' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' C' ' 618' ' ' GLU . 64.3 p -67.45 -32.79 73.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.609 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.439 ' HA ' HH12 ' A' ' 620' ' ' ARG . 1.8 mt-30 -62.86 -54.2 42.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.965 0.412 . . . . 0.0 111.162 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.442 HG23 HG21 ' B' ' 616' ' ' VAL . 3.2 t -66.96 -33.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -63.74 -53.13 55.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.299 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' C' ' 614' ' ' THR . 76.4 mt-10 -64.72 -42.03 95.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.532 HD11 ' HG3' ' A' ' 620' ' ' ARG . 10.2 tp -59.69 -40.19 87.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.529 ' HG3' HD11 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.83 -44.97 91.04 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -40.98 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' C' ' 619' ' ' LEU . 46.7 mt -64.8 -37.63 80.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.646 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -63.73 -43.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.222 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.04 -42.6 89.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 625' ' ' THR . . . . . 0.645 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 24.3 m -63.1 -43.58 98.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.036 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.57 -36.35 70.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.51 19.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . 0.558 ' HB3' HH21 ' C' ' 632' ' ' ARG . 26.3 m-20 -66.33 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.045 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.645 ' HB2' ' O ' ' C' ' 625' ' ' THR . 5.9 tt0 -65.05 -44.06 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' C' ' 627' ' ' LYS . 4.5 pt20 -66.51 -35.89 81.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.477 ' O ' HG13 ' C' ' 634' ' ' ILE . 15.5 mttm -61.81 -47.73 83.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . 0.558 HH21 ' HB3' ' C' ' 628' ' ' ASP . 9.0 mtt180 -67.7 -38.88 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.001 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.613 ' HB3' HG23 ' A' ' 634' ' ' ILE . 52.3 mt-10 -58.93 -52.92 63.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.082 0.467 . . . . 0.0 111.884 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.617 HG23 ' HB3' ' B' ' 633' ' ' GLU . 1.7 pp -68.17 -35.19 70.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.118 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.54 -52.79 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -38.49 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 637' ' ' LEU . 0.5 OUTLIER -62.35 -41.6 98.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.747 179.582 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 -179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 22.1 m -63.6 -42.31 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.54 -37.3 82.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.65 -40.25 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.772 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.23 -39.37 86.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.468 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -65.46 -41.47 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.224 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.661 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 4.2 tt0 -71.99 -28.78 63.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.667 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 2.5 mmtt -68.5 -48.06 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.01 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.499 ' CG2' ' HA ' ' C' ' 644' ' ' GLU . 4.8 tt -67.17 -36.97 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.171 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.649 HH11 ' HG3' ' C' ' 652' ' ' GLN . 6.0 tmm_? -70.89 -44.37 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . 0.421 ' HA ' ' NH1' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.64 -41.1 94.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.407 ' NH1' ' HA ' ' C' ' 647' ' ' ILE . 19.8 mtp180 -59.06 -45.54 90.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.662 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.548 HD22 ' HA ' ' A' ' 652' ' ' GLN . 8.7 tp -63.09 -31.52 72.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.649 ' HG3' HH11 ' C' ' 648' ' ' ARG . 2.7 mm-40 -60.24 -41.89 94.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.146 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.26 89.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.449 ' O ' HG13 ' C' ' 658' ' ' ILE . 16.6 tt0 -62.69 -43.91 97.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.478 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.598 HG21 HG12 ' A' ' 655' ' ' VAL . 82.9 t -57.76 -45.78 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.457 . . . . 0.0 111.239 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -38.31 69.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.26 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.744 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.51 HG21 HD13 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -62.99 -34.88 68.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.644 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.439 ' HG2' HD11 ' B' ' 658' ' ' ILE . 0.3 OUTLIER -70.75 -41.21 72.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 111.018 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -45.75 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.32 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.527 HD13 HG21 ' B' ' 658' ' ' ILE . 1.2 tp -68.06 -31.28 70.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . 0.43 HE22 ' HZ3' ' C' ' 659' ' ' LYS . 0.0 OUTLIER -81.01 -30.28 34.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.94 -37.56 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.79 64.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.3 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.32 90.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.421 HG13 HD12 ' C' ' 612' ' ' LEU . 3.0 t -64.92 -38.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.69 -50.81 71.96 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.152 0.501 . . . . 0.0 111.754 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -39.18 91.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' B' ' 613' ' ' ARG . 12.3 mt -61.48 -44.27 97.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 111.076 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.559 ' HA ' HD21 ' C' ' 612' ' ' LEU . 11.2 ttm180 -56.47 -43.84 79.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.019 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -45.78 92.61 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.646 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.518 ' HG2' HG12 ' B' ' 616' ' ' VAL . 3.7 tt0 -64.58 -38.97 92.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 111.203 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.504 HG12 ' HG2' ' C' ' 615' ' ' GLN . 36.2 t -62.45 -50.7 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -47.2 86.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.346 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.3 -31.61 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -50.9 70.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.4 OUTLIER -58.15 -43.14 87.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.25 78.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.64 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 20.1 mt -63.97 -43.74 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.58 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 620' ' ' ARG . 4.6 mt -65.32 -43.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.234 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.43 -42.31 86.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.81 -45.12 72.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.478 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 19.3 mtt -60.98 -37.45 82.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.473 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.7 OUTLIER -65.21 -38.55 90.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.49 -45.65 82.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.61 -48.52 72.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.507 HE21 ' HG2' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -60.3 -44.08 95.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.506 ' HG2' HE21 ' C' ' 630' ' ' GLN . 4.0 mmtm -64.91 -38.18 90.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -41.44 97.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.009 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.27 -44.02 93.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.03 0.443 . . . . 0.0 111.839 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 35.3 mt -63.82 -41.39 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.082 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.53 ' HA ' HD11 ' A' ' 638' ' ' LEU . 4.9 mmpp? -61.61 -37.92 85.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.5 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.3 95.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.992 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' B' ' 638' ' ' LEU . 2.3 mt -62.44 -41.84 99.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 635' ' ' LYS . 2.0 mt -59.53 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -34.46 74.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.4 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.0 OUTLIER -67.05 -44.46 80.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' C' ' 644' ' ' GLU . 1.1 tt -66.26 -31.98 73.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.76 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.38 -50.1 75.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.489 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 643' ' ' GLU . 1.2 mm-40 -64.3 -37.14 86.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.283 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.572 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -61.56 -40.28 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.494 ' O ' HD12 ' A' ' 649' ' ' LEU . 3.5 mttt -66.65 -37.47 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.416 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.84 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 111.187 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.565 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.4 tmm_? -61.49 -47.14 87.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.01 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 645' ' ' LYS . 5.8 mt -56.4 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 33.4 mtt180 -62.15 -37.6 85.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -57.41 -44.98 85.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -65.74 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.122 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 111.28 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.93 -36.25 82.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 651' ' ' LEU . 25.0 t -66.37 -37.29 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.171 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.54 -53.42 48.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.629 HG13 HD21 ' B' ' 662' ' ' LEU . 13.0 tt -65.91 -31.98 56.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.642 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 655' ' ' VAL . 0.4 OUTLIER -65.6 -49.65 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . 0.638 ' HZ3' ' HA ' ' A' ' 660' ' ' LYS . 1.0 OUTLIER -62.51 -43.29 99.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.84 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.33 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.64 HD21 HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -62.52 -32.71 73.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.82 -21.88 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.749 0.309 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -70.98 -28.81 64.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.21 88.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.29 91.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.462 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.437 HG13 HD12 ' A' ' 612' ' ' LEU . 3.0 t -64.99 -38.2 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.75 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.735 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -39.13 91.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' C' ' 613' ' ' ARG . 12.3 mt -61.54 -44.15 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.799 0.333 . . . . 0.0 111.111 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.548 ' HA ' HD21 ' A' ' 612' ' ' LEU . 11.2 ttm180 -56.56 -43.77 80.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -45.75 92.89 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.514 ' HG2' HG12 ' C' ' 616' ' ' VAL . 3.7 tt0 -64.57 -39.05 93.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 111.147 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.518 HG12 ' HG2' ' A' ' 615' ' ' GLN . 35.8 t -62.41 -50.63 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -59.81 -47.12 86.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.31 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.45 -31.43 72.64 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.979 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -50.89 70.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.99 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.3 OUTLIER -58.16 -43.09 87.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.85 -36.32 78.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 20.1 mt -64.0 -43.68 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.57 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' B' ' 620' ' ' ARG . 4.6 mt -65.33 -43.8 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -42.27 86.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.8 -45.07 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.485 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 19.2 mtt -61.05 -37.43 82.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.478 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.7 OUTLIER -65.29 -38.51 90.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.021 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.48 -45.64 82.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.57 -48.56 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.5 HE21 ' HG2' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -60.26 -44.12 95.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.507 ' HG2' HE21 ' A' ' 630' ' ' GLN . 4.0 mmtm -64.79 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -41.4 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.974 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.34 -44.08 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 0.0 111.808 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 35.0 mt -63.76 -41.32 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.162 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.541 ' HA ' HD11 ' B' ' 638' ' ' LEU . 4.9 mmpp? -61.76 -37.81 85.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.478 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -40.32 95.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.446 HD12 ' HG ' ' C' ' 638' ' ' LEU . 2.3 mt -62.39 -41.8 98.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' B' ' 635' ' ' LYS . 2.0 mt -59.51 -50.06 75.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -34.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.402 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.0 OUTLIER -67.08 -44.39 80.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.866 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 644' ' ' GLU . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.75 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -59.33 -50.11 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.489 ' HA ' ' OE1' ' B' ' 643' ' ' GLU . 1.2 mm-40 -64.37 -37.19 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.2 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.562 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.0 OUTLIER -61.44 -40.39 94.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.505 ' O ' HD12 ' B' ' 649' ' ' LEU . 3.5 mttt -66.58 -37.54 85.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.681 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.413 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -62.31 -47.66 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.87 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.21 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.572 HH21 ' HG2' ' A' ' 644' ' ' GLU . 4.4 tmm_? -61.41 -47.15 87.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 645' ' ' LYS . 5.8 mt -56.38 -46.63 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.739 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 33.1 mtt180 -62.14 -37.58 85.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -57.46 -45.07 85.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.737 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -65.61 -34.4 78.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -43.85 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.03 -36.23 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 651' ' ' LEU . 25.1 t -66.4 -37.24 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.58 -43.28 97.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.4 -53.43 48.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.64 HG13 HD21 ' C' ' 662' ' ' LEU . 13.0 tt -66.07 -31.79 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.678 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 655' ' ' VAL . 0.4 OUTLIER -65.74 -49.62 67.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . 0.622 ' HA ' ' HZ3' ' B' ' 660' ' ' LYS . 1.0 OUTLIER -62.49 -43.29 99.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.66 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.304 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.629 HD21 HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -62.57 -32.73 73.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.514 179.506 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.82 -21.83 34.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.341 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.81 64.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.32 88.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.34 91.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.396 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.436 HG13 HD12 ' B' ' 612' ' ' LEU . 3.0 t -64.97 -38.23 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.77 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -39.11 91.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 613' ' ' ARG . 12.3 mt -61.51 -44.25 97.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.532 ' HA ' HD21 ' B' ' 612' ' ' LEU . 11.2 ttm180 -56.51 -43.86 80.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -45.85 92.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.626 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.504 ' HG2' HG12 ' A' ' 616' ' ' VAL . 3.7 tt0 -64.54 -39.08 93.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.012 0.434 . . . . 0.0 111.166 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' B' ' 615' ' ' GLN . 36.4 t -62.34 -50.7 78.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.172 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -59.74 -47.17 86.72 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.704 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.38 -31.46 72.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -50.92 70.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.998 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.509 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.4 OUTLIER -58.13 -43.13 87.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.34 78.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 20.2 mt -63.94 -43.68 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.593 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' C' ' 620' ' ' ARG . 4.6 mt -65.39 -43.73 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -42.15 86.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.249 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -45.02 72.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.039 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.473 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 19.3 mtt -61.02 -37.53 82.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.485 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.7 OUTLIER -65.13 -38.54 90.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.44 -45.67 82.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.073 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.6 -48.51 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.506 HE21 ' HG2' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -60.25 -44.08 95.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.5 ' HG2' HE21 ' B' ' 630' ' ' GLN . 3.9 mmtm -64.96 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -41.44 97.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.078 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.33 -43.92 93.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.055 0.455 . . . . 0.0 111.921 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.91 -41.3 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.066 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.539 ' HA ' HD11 ' C' ' 638' ' ' LEU . 4.9 mmpp? -61.72 -37.86 85.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.509 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.32 95.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.997 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.454 HD12 ' HG ' ' A' ' 638' ' ' LEU . 2.3 mt -62.4 -41.86 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.773 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' C' ' 635' ' ' LYS . 2.0 mt -59.51 -50.05 75.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.795 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.52 80.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.939 0.399 . . . . 0.0 110.811 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.468 HD21 ' HG3' ' B' ' 644' ' ' GLU . 1.1 tt -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.839 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.53 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.459 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.475 ' HA ' ' OE1' ' C' ' 643' ' ' GLU . 1.2 mm-40 -64.33 -37.19 86.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.249 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.565 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.0 OUTLIER -61.47 -40.35 94.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.894 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.503 ' O ' HD12 ' C' ' 649' ' ' LEU . 3.5 mttt -66.53 -37.54 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.712 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.418 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -62.34 -47.7 83.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.84 -39.86 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.054 0.454 . . . . 0.0 111.219 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.562 HH21 ' HG2' ' B' ' 644' ' ' GLU . 4.4 tmm_? -61.5 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . 0.503 HD12 ' O ' ' C' ' 645' ' ' LYS . 5.8 mt -56.45 -46.65 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 33.2 mtt180 -62.22 -37.45 85.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.699 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.587 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -57.5 -44.98 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.772 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -65.7 -34.43 78.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.16 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.298 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.04 -36.24 82.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.587 HG23 ' O ' ' C' ' 651' ' ' LEU . 25.1 t -66.45 -37.19 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.177 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.54 -43.32 97.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.52 -53.34 49.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.749 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.64 HG13 HD21 ' A' ' 662' ' ' LEU . 13.0 tt -66.01 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.678 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' C' ' 655' ' ' VAL . 0.4 OUTLIER -65.64 -49.65 67.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . 0.651 ' HA ' ' HZ3' ' C' ' 660' ' ' LYS . 1.0 OUTLIER -62.53 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.299 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.64 HD21 HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -62.59 -32.73 73.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.463 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m -71.64 -25.08 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.487 ' HE2' HD13 ' A' ' 662' ' ' LEU . 20.7 pttt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 29.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -39.14 74.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.94 75.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.05 90.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.36 -43.44 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.43 -42.5 99.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.173 0.511 . . . . 0.0 111.784 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.31 -39.63 92.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.445 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 616' ' ' VAL . 0.4 OUTLIER -62.01 -51.06 69.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.088 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.432 ' HA ' HD11 ' C' ' 612' ' ' LEU . 10.4 tpp180 -57.79 -44.63 86.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.53 -37.89 87.87 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.602 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -45.08 72.42 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.156 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 612' ' ' LEU . 62.0 t -65.26 -36.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -49.39 71.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.337 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -41.04 96.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 622' ' ' ILE . 10.5 tp -64.81 -36.98 86.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.88 -37.82 80.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -37.98 84.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 619' ' ' LEU . 17.9 mt -67.67 -42.4 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.564 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.55 HD12 HD11 ' B' ' 623' ' ' ILE . 1.3 mp -60.04 -49.84 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.186 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.16 -32.22 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.22 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 52.6 m -73.02 -38.69 66.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.012 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.67 -35.11 74.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -64.93 -49.59 69.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.56 -36.22 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.49 -45.04 92.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.832 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 633' ' ' GLU . 0.9 OUTLIER -66.25 -30.86 71.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 634' ' ' ILE . 8.0 mttm -67.3 -43.32 81.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.71 86.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.028 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 630' ' ' GLN . 29.2 mt-10 -57.11 -54.8 42.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.855 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.7 pp -63.34 -37.22 78.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 19.3 tptp -60.4 -46.4 90.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.426 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.88 88.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.498 HD22 HD13 ' B' ' 641' ' ' LEU . 2.1 mt -61.84 -39.61 92.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.781 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.3 -40.85 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.172 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.04 -40.67 94.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -69.33 -44.55 71.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.503 HD13 HD22 ' C' ' 637' ' ' LEU . 0.5 OUTLIER -60.83 -37.95 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.805 179.562 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.2 -45.84 79.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.479 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.33 89.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.27 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.3 -38.64 84.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.74 98.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.565 ' HZ3' ' HB2' ' A' ' 646' ' ' LYS . 0.3 OUTLIER -60.18 -52.78 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.6 tt -63.63 -39.25 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 121.068 0.461 . . . . 0.0 111.205 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 648' ' ' ARG . 0.7 OUTLIER -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.032 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -45.23 91.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.768 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.35 -38.65 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' B' ' 652' ' ' GLN . 34.0 tp -64.59 -41.45 96.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.692 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' C' ' 651' ' ' LEU . 0.5 OUTLIER -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.103 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -44.31 94.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 111.249 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.75 96.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.471 ' HA ' HD12 ' A' ' 658' ' ' ILE . 86.1 t -63.04 -40.15 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.21 -36.84 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.59 -45.38 87.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.716 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 655' ' ' VAL . 0.0 OUTLIER -66.3 -37.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.72 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 659' ' ' LYS . 1.2 mmtt -68.64 -39.8 80.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.08 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.89 -39.88 79.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.369 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.66 95.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.52 -33.35 60.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -39.08 73.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.9 75.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.04 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.431 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.45 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.633 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.54 -42.4 99.5 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 111.821 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.35 -39.61 92.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.465 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.481 ' O ' HG22 ' B' ' 616' ' ' VAL . 0.4 OUTLIER -61.98 -51.11 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.43 ' HA ' HD11 ' A' ' 612' ' ' LEU . 10.4 tpp180 -57.7 -44.68 86.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.079 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.45 -37.93 87.82 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.648 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -45.01 72.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.994 0.426 . . . . 0.0 111.171 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 612' ' ' LEU . 61.9 t -65.24 -36.26 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -49.4 71.25 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.271 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -41.08 96.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.701 ' HA ' HD12 ' B' ' 622' ' ' ILE . 10.5 tp -64.78 -36.97 86.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.86 -37.87 80.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -38.02 84.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 619' ' ' LEU . 17.9 mt -67.66 -42.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 111.636 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.556 HD12 HD11 ' C' ' 623' ' ' ILE . 1.3 mp -60.08 -49.76 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.235 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.28 -32.08 72.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.4 m -73.11 -38.76 66.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.63 -35.12 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.95 -49.57 69.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.53 -36.16 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.58 -45.09 91.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' B' ' 633' ' ' GLU . 0.9 OUTLIER -66.2 -30.87 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.504 ' O ' HG13 ' B' ' 634' ' ' ILE . 8.1 mttm -67.21 -43.4 82.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -43.73 86.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.017 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' B' ' 630' ' ' GLN . 29.2 mt-10 -57.11 -54.78 42.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.089 0.471 . . . . 0.0 111.886 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.7 pp -63.28 -37.21 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.062 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 19.4 tptp -60.44 -46.41 90.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.477 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -39.9 88.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.964 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.488 HD22 HD13 ' C' ' 641' ' ' LEU . 2.1 mt -61.9 -39.62 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.753 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.19 -40.97 86.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.44 -44.37 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.02 0.438 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.498 HD13 HD22 ' A' ' 637' ' ' LEU . 0.5 OUTLIER -60.92 -37.97 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.742 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 -45.78 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.28 89.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.219 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.47 -42.72 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.565 ' HB2' ' HZ3' ' B' ' 646' ' ' LYS . 0.3 OUTLIER -60.24 -52.66 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.276 -179.653 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.69 -39.23 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 111.226 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -40.92 96.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.018 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.773 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.39 -38.51 84.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' C' ' 652' ' ' GLN . 34.1 tp -64.65 -41.38 96.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.771 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 651' ' ' LEU . 0.5 OUTLIER -57.57 -48.52 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.21 95.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.31 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.42 ' O ' HG13 ' B' ' 658' ' ' ILE . 2.3 tt0 -61.88 -40.68 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.547 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' B' ' 658' ' ' ILE . 86.0 t -63.04 -40.06 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.44 -36.73 83.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.48 -45.39 87.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' B' ' 655' ' ' VAL . 0.0 OUTLIER -66.37 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.668 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' B' ' 659' ' ' LYS . 1.2 mmtt -68.7 -39.76 80.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.784 0.326 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -44.02 69.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.92 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.279 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.57 -33.36 60.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -39.17 74.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.93 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.99 90.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.451 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.49 -43.4 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.46 -42.48 99.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.19 0.519 . . . . 0.0 111.834 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.22 -39.71 93.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.478 ' O ' HG22 ' C' ' 616' ' ' VAL . 0.4 OUTLIER -61.96 -51.05 69.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.431 ' HA ' HD11 ' B' ' 612' ' ' LEU . 10.5 tpp180 -57.8 -44.7 86.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 17.9 p -62.44 -37.88 87.57 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.703 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -45.0 72.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.206 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.478 HG22 ' O ' ' C' ' 612' ' ' LEU . 62.0 t -65.32 -36.27 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -64.54 -49.4 71.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -41.11 96.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.713 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.5 tp -64.7 -37.03 86.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.86 -37.84 80.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -37.95 84.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.611 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' C' ' 619' ' ' LEU . 17.9 mt -67.62 -42.39 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 111.625 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.556 HD11 HD12 ' B' ' 623' ' ' ILE . 1.3 mp -60.08 -49.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.2 -32.2 72.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.215 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 52.3 m -73.12 -38.58 66.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.969 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.73 -35.15 74.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.94 -49.52 70.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.059 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.53 -45.09 92.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' C' ' 633' ' ' GLU . 0.9 OUTLIER -66.22 -30.94 71.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.76 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.508 ' O ' HG13 ' C' ' 634' ' ' ILE . 8.0 mttm -67.21 -43.3 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -43.73 86.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.992 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' C' ' 630' ' ' GLN . 29.1 mt-10 -57.08 -54.85 42.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.864 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.508 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.7 pp -63.28 -37.22 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.084 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 19.4 tptp -60.34 -46.46 89.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.452 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.87 88.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 641' ' ' LEU . 2.1 mt -61.83 -39.59 92.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.31 -40.9 86.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 8.7 m -61.05 -40.61 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.51 -44.44 71.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.488 HD13 HD22 ' B' ' 637' ' ' LEU . 0.5 OUTLIER -60.9 -37.98 84.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.76 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.1 -45.88 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.36 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.234 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.69 98.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.78 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.56 ' HZ3' ' HB2' ' C' ' 646' ' ' LYS . 0.3 OUTLIER -60.24 -52.7 64.16 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.21 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.74 -39.16 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.206 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -40.86 96.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.099 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -45.3 90.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.34 -38.55 84.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 652' ' ' GLN . 34.1 tp -64.65 -41.34 96.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.738 ' HA ' HD12 ' B' ' 651' ' ' LEU . 0.5 OUTLIER -57.6 -48.48 79.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.115 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -44.26 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.296 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.435 ' O ' HG13 ' C' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.71 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.555 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.45 ' HA ' HD12 ' C' ' 658' ' ' ILE . 85.6 t -63.05 -40.11 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.191 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.37 -36.69 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.56 -45.39 87.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' C' ' 655' ' ' VAL . 0.0 OUTLIER -66.34 -37.88 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -68.69 -39.77 80.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -43.98 69.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.92 79.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.41 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -75.59 -33.33 60.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t -72.77 -35.62 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.63 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.443 ' O ' HG21 ' A' ' 609' ' ' VAL . 66.9 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.2 -51.63 51.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.93 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . 0.564 ' CB ' HG11 ' B' ' 609' ' ' VAL . . . -63.63 -36.18 82.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.549 HG11 ' CB ' ' C' ' 608' ' ' ALA . 2.3 t -66.2 -40.07 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.64 -48.7 73.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.745 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.454 ' HB3' HH21 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -59.09 -39.79 83.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.453 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' C' ' 612' ' ' LEU . 5.0 mt -63.83 -43.06 97.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.068 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.666 ' HA ' HD21 ' C' ' 612' ' ' LEU . 0.0 OUTLIER -62.38 -41.15 98.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.641 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.462 ' HB3' HG12 ' B' ' 616' ' ' VAL . 0.1 OUTLIER -67.14 -30.38 70.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 111.174 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.3 t -66.42 -47.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -62.8 -46.37 88.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 -179.755 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.718 ' O ' HG13 ' A' ' 622' ' ' ILE . 47.7 mt-10 -60.57 -35.8 76.94 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.976 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.636 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -66.62 -45.54 78.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.523 ' HD2' ' HG ' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.09 -30.76 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 16.3 m -67.94 -39.57 83.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.718 HG13 ' O ' ' A' ' 618' ' ' GLU . 3.6 mt -67.47 -40.98 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.559 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.633 HD12 ' HB ' ' C' ' 622' ' ' ILE . 0.4 OUTLIER -60.66 -45.49 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.235 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 623' ' ' ILE . 2.5 mt-10 -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.21 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -49.8 68.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.049 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.485 ' HE1' ' O ' ' B' ' 623' ' ' ILE . 3.8 ttm -62.15 -35.08 77.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.444 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 5.0 tttp -65.0 -46.91 79.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 -42.93 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.587 ' O ' ' HB2' ' A' ' 633' ' ' GLU . 1.5 mt-30 -66.17 -33.24 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.425 HE21 ' HG2' ' A' ' 631' ' ' LYS . 1.2 tt0 -69.19 -48.84 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 6.7 mmtt -63.92 -46.65 83.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . 0.566 HH22 ' HG3' ' A' ' 629' ' ' GLN . 1.5 ttp-105 -63.77 -45.22 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.948 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.587 ' HB2' ' O ' ' A' ' 629' ' ' GLN . 4.3 mt-10 -60.9 -49.23 78.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 111.911 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.525 ' HA ' HD11 ' A' ' 637' ' ' LEU . 1.0 OUTLIER -65.96 -32.37 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.108 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -64.08 -41.78 97.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.402 -179.525 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.64 -45.72 88.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.012 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' B' ' 637' ' ' LEU . 1.8 mt -60.45 -41.26 93.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.574 ' HG ' HD23 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.95 -42.39 99.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.683 ' HG3' ' HZ3' ' B' ' 645' ' ' LYS . 1.4 tt0 -64.27 -37.75 88.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.621 HD13 HD22 ' C' ' 637' ' ' LEU . 40.9 mt -62.21 -43.79 98.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.826 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.74 -39.08 93.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.435 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.553 ' OE1' ' HA ' ' A' ' 640' ' ' GLU . 8.0 mt-10 -65.53 -41.29 93.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.242 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.72 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 11.8 mt-10 -62.71 -37.47 86.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.725 ' HE3' ' HG2' ' C' ' 644' ' ' GLU . 0.0 OUTLIER -65.28 -44.06 89.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.72 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.533 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 5.7 mmtp -62.09 -47.05 86.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.447 HG22 ' HE ' ' B' ' 648' ' ' ARG . 48.2 mt -65.49 -41.05 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.092 0.472 . . . . 0.0 111.21 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.477 HH22 ' HE3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -65.42 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.02 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -46.2 84.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.721 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.533 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.683 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' B' ' 651' ' ' LEU . 0.3 OUTLIER -64.08 -44.32 92.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.757 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.462 ' HA ' HD23 ' C' ' 651' ' ' LEU . 1.7 tt0 -66.44 -32.11 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.175 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -38.87 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.502 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 36.4 t -64.3 -41.42 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 111.148 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.11 -37.8 86.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . 0.492 ' HA ' ' HE3' ' A' ' 660' ' ' LYS . 0.4 OUTLIER -66.91 -42.57 85.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.751 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.634 HG21 HG21 ' B' ' 658' ' ' ILE . 16.3 mt -69.23 -33.58 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.666 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.6 -43.06 85.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.754 0.311 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' A' ' 657' ' ' ASP . 45.9 mtmt -57.81 -53.63 56.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.08 -37.78 84.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.336 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.31 -32.15 73.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -31.0 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.453 ' O ' HG21 ' B' ' 609' ' ' VAL . 66.7 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -51.64 51.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.89 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . 0.552 ' CB ' HG11 ' C' ' 609' ' ' VAL . . . -63.66 -36.12 82.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.468 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.564 HG11 ' CB ' ' A' ' 608' ' ' ALA . 2.3 t -66.21 -40.07 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.56 -48.74 73.89 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 111.767 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.444 ' HB3' HH21 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -58.97 -39.93 83.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.439 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.693 ' HB3' HD22 ' A' ' 612' ' ' LEU . 5.0 mt -63.8 -43.04 97.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 111.16 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.659 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.0 OUTLIER -62.39 -41.1 98.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.045 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.17 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.669 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.459 ' HB3' HG12 ' C' ' 616' ' ' VAL . 0.1 OUTLIER -67.08 -30.54 70.61 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.108 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 612' ' ' LEU . 42.3 t -66.38 -47.52 83.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.225 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -62.75 -46.37 88.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.35 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.712 ' O ' HG13 ' B' ' 622' ' ' ILE . 47.7 mt-10 -60.51 -35.85 76.97 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.2 OUTLIER -66.6 -45.49 79.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.528 ' HD2' ' HG ' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.14 -30.68 71.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.3 m -67.89 -39.62 83.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.712 HG13 ' O ' ' B' ' 618' ' ' GLU . 3.6 mt -67.42 -41.02 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.582 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.642 HD12 ' HB ' ' A' ' 622' ' ' ILE . 0.5 OUTLIER -60.7 -45.45 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.215 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' B' ' 623' ' ' ILE . 2.5 mt-10 -61.46 -41.0 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.261 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.008 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.48 ' HE1' ' O ' ' C' ' 623' ' ' ILE . 3.8 ttm -62.22 -35.01 77.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.432 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 5.0 tttp -65.06 -46.98 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.84 -42.9 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.596 ' O ' ' HB2' ' B' ' 633' ' ' GLU . 1.5 mt-30 -66.26 -33.19 75.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.425 HE21 ' HG2' ' B' ' 631' ' ' LYS . 1.2 tt0 -69.21 -48.8 61.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 6.7 mmtt -64.02 -46.65 83.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.583 HH22 ' HG3' ' B' ' 629' ' ' GLN . 1.5 ttp-105 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.945 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' B' ' 629' ' ' GLN . 4.3 mt-10 -60.92 -49.25 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.052 0.453 . . . . 0.0 111.871 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.505 ' HA ' HD11 ' B' ' 637' ' ' LEU . 1.0 OUTLIER -65.99 -32.33 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.077 179.261 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -64.09 -41.74 97.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.443 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.69 -45.68 88.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' C' ' 637' ' ' LEU . 1.8 mt -60.51 -41.22 93.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.58 ' HG ' HD23 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 45.2 m -62.96 -42.42 99.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.665 ' HG3' ' HZ3' ' C' ' 645' ' ' LYS . 1.4 tt0 -64.27 -37.72 88.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.606 HD13 HD22 ' A' ' 637' ' ' LEU . 41.1 mt -62.16 -43.83 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.817 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.74 -38.97 93.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.514 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.555 ' OE1' ' HA ' ' B' ' 640' ' ' GLU . 8.0 mt-10 -65.69 -41.25 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.188 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.72 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 11.8 mt-10 -62.66 -37.46 86.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.72 ' HE3' ' HG2' ' A' ' 644' ' ' GLU . 0.0 OUTLIER -65.33 -44.05 89.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.698 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.552 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 5.7 mmtp -62.14 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.439 HG22 ' HE ' ' C' ' 648' ' ' ARG . 48.1 mt -65.59 -40.94 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.104 0.478 . . . . 0.0 111.234 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.474 HH22 ' HE3' ' B' ' 645' ' ' LYS . 0.1 OUTLIER -65.52 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 -179.745 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -46.29 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.552 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -65.25 -32.35 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.716 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.62 ' HB3' HD21 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.08 -44.26 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.735 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.444 ' HA ' HD23 ' A' ' 651' ' ' LEU . 1.7 tt0 -66.49 -32.13 73.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.114 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -38.88 82.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.335 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.486 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 36.8 t -64.3 -41.47 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.99 -37.89 86.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . 0.481 ' HA ' ' HE3' ' B' ' 660' ' ' LYS . 0.4 OUTLIER -66.84 -42.62 85.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.76 179.6 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.636 HG21 HG21 ' C' ' 658' ' ' ILE . 16.2 mt -69.22 -33.58 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.702 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.57 -43.02 86.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.786 0.327 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . 0.481 ' HE3' ' HA ' ' B' ' 657' ' ' ASP . 45.9 mtmt -57.89 -53.64 55.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.76 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.344 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.16 73.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.456 ' O ' HG21 ' C' ' 609' ' ' VAL . 67.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.738 0.304 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -51.67 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.9 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . 0.549 ' CB ' HG11 ' A' ' 609' ' ' VAL . . . -63.73 -36.07 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.428 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.552 HG11 ' CB ' ' B' ' 608' ' ' ALA . 2.3 t -66.22 -40.06 85.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.6 -48.68 74.0 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.207 0.527 . . . . 0.0 111.814 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.453 ' HB3' HH21 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -59.13 -39.76 83.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 179.437 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 612' ' ' LEU . 5.0 mt -63.88 -43.06 97.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.66 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -62.34 -41.17 98.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.041 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -46.27 90.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.629 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.452 ' HB3' HG12 ' A' ' 616' ' ' VAL . 0.1 OUTLIER -67.18 -30.4 70.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 -179.508 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.549 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.3 t -66.45 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -62.81 -46.35 88.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.376 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.706 ' O ' HG13 ' C' ' 622' ' ' ILE . 47.7 mt-10 -60.53 -35.88 77.05 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.661 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.2 OUTLIER -66.52 -45.55 79.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.515 ' HD2' ' HG ' ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.1 -30.77 71.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 16.3 m -67.9 -39.55 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.604 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.706 HG13 ' O ' ' C' ' 618' ' ' GLU . 3.5 mt -67.52 -40.96 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.582 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.632 HD12 ' HB ' ' B' ' 622' ' ' ILE . 0.4 OUTLIER -60.7 -45.43 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.203 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' C' ' 623' ' ' ILE . 2.5 mt-10 -61.54 -40.94 96.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -49.76 68.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.037 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.478 ' HE1' ' O ' ' A' ' 623' ' ' ILE . 3.8 ttm -62.17 -35.08 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.442 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 5.0 tttp -65.05 -46.91 79.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.87 -42.96 84.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' C' ' 633' ' ' GLU . 1.5 mt-30 -66.17 -33.17 75.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.422 HE21 ' HG2' ' C' ' 631' ' ' LYS . 1.2 tt0 -69.27 -48.81 60.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 6.7 mmtt -63.94 -46.69 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . 0.57 HH22 ' HG3' ' C' ' 629' ' ' GLN . 1.4 ttp-105 -63.69 -45.19 91.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.035 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' C' ' 629' ' ' GLN . 4.3 mt-10 -60.93 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.836 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.517 ' HA ' HD11 ' C' ' 637' ' ' LEU . 1.0 OUTLIER -65.98 -32.32 57.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.087 179.251 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -64.14 -41.65 97.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -63.7 -45.75 88.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.013 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.71 ' HB2' HD21 ' B' ' 637' ' ' LEU . 1.8 mt -60.38 -41.24 93.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.795 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.582 ' HG ' HD23 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -62.02 -42.56 99.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.88 -42.51 99.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.671 ' HG3' ' HZ3' ' A' ' 645' ' ' LYS . 1.4 tt0 -64.25 -37.66 88.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.614 HD13 HD22 ' B' ' 637' ' ' LEU . 41.0 mt -62.22 -43.87 97.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.774 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.75 -38.95 93.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.486 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' C' ' 640' ' ' GLU . 8.0 mt-10 -65.63 -41.26 92.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.19 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.725 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 11.8 mt-10 -62.7 -37.54 86.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.72 ' HE3' ' HG2' ' B' ' 644' ' ' GLU . 0.0 OUTLIER -65.24 -44.11 89.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.668 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.54 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 5.6 mmtp -62.06 -47.07 86.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.449 HG22 ' HE ' ' A' ' 648' ' ' ARG . 48.4 mt -65.57 -40.95 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.138 0.494 . . . . 0.0 111.221 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.484 HH22 ' HE3' ' C' ' 645' ' ' LYS . 0.1 OUTLIER -65.46 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.065 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.26 -46.28 84.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.714 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.54 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -65.31 -32.31 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.688 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.06 -44.32 92.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.456 ' HA ' HD23 ' B' ' 651' ' ' LEU . 1.7 tt0 -66.45 -32.07 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.177 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -38.83 82.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.38 . . . . 0.0 111.334 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -38.59 91.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.456 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 36.8 t -64.26 -41.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.186 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.12 -37.82 86.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . 0.478 ' HA ' ' HE3' ' C' ' 660' ' ' LYS . 0.4 OUTLIER -66.86 -42.7 85.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.636 HG21 HG21 ' B' ' 658' ' ' ILE . 16.1 mt -69.14 -33.68 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.5 -43.09 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' C' ' 657' ' ' ASP . 45.9 mtmt -57.87 -53.59 56.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . 0.593 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -67.09 -37.81 84.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.04 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.791 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -43.86 52.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.779 0.323 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.55 97.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.6 82.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.479 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.522 HG12 HG23 ' C' ' 609' ' ' VAL . 0.2 OUTLIER -64.42 -34.89 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.06 -53.21 58.76 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 111.799 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.27 -40.73 74.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.397 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.06 -40.42 97.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 613' ' ' ARG . 15.7 ttm-85 -59.05 -40.84 86.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -46.51 81.48 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -67.39 -33.04 74.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 111.137 -179.452 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.3 -48.89 85.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -42.75 87.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.317 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -65.4 -35.38 80.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.656 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.517 ' HA ' HD13 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -64.91 -40.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.534 ' HA ' HD12 ' A' ' 623' ' ' ILE . 17.2 ttt180 -66.48 -40.29 89.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 10.1 t -63.78 -30.54 71.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.626 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 619' ' ' LEU . 58.5 mt -67.62 -45.73 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.655 HG12 HG12 ' B' ' 623' ' ' ILE . 3.0 mt -66.19 -39.29 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.217 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.32 -47.18 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.957 0.408 . . . . 0.0 111.282 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.54 -50.58 66.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.011 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.417 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 14.3 mtt -56.86 -40.25 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.58 ' HZ3' ' HE2' ' A' ' 631' ' ' LYS . 4.4 tmtm? -62.99 -45.55 91.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -37.53 81.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.048 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.658 ' HG3' ' HZ3' ' B' ' 631' ' ' LYS . 36.9 tp60 -67.96 -50.09 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.529 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.6 OUTLIER -60.81 -36.95 80.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.634 ' HZ3' ' HG3' ' C' ' 629' ' ' GLN . 6.4 mmtt -65.85 -39.71 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -61.69 -35.44 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.95 179.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.07 -38.68 66.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.043 0.449 . . . . 0.0 111.884 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.43 HG21 HD13 ' C' ' 637' ' ' LEU . 65.6 mt -64.62 -41.99 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 631' ' ' LYS . 0.5 OUTLIER -60.33 -48.07 83.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.463 -179.56 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -40.96 95.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.601 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.7 OUTLIER -59.5 -43.5 93.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 179.627 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.604 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 5.3 mt -66.14 -41.83 89.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.147 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.405 ' HB3' HD13 ' B' ' 641' ' ' LEU . 18.7 tt0 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.074 0.464 . . . . 0.0 110.86 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.44 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.752 179.577 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.12 -39.92 91.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.487 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 647' ' ' ILE . 42.1 mm-40 -65.91 -43.62 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.267 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.7 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -68.19 -37.43 80.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.917 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.694 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.8 mttm -60.93 -42.86 98.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.691 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.537 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -63.21 -48.71 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 -179.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 643' ' ' GLU . 34.1 mt -62.07 -34.72 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 111.229 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 648' ' ' ARG . 4.2 tmm_? -66.38 -49.67 66.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.47 -46.4 80.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.3 79.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -49.72 74.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.733 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.15 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.509 ' HG3' ' HZ3' ' B' ' 659' ' ' LYS . 50.3 tt0 -61.23 -45.04 96.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.544 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 658' ' ' ILE . 53.9 t -60.9 -39.36 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.69 -36.13 79.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -50.74 38.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.7 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.517 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 4.8 tt -63.29 -40.03 87.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.686 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.502 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 13.2 tttt -65.97 -44.03 86.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -48.01 80.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.06 81.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -37.45 86.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.557 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -33.81 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -67.1 -35.42 79.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.53 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.64 82.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.465 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.521 HG23 HG12 ' C' ' 609' ' ' VAL . 0.2 OUTLIER -64.41 -34.97 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.22 58.59 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.144 0.497 . . . . 0.0 111.745 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.2 -40.68 74.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.17 -40.33 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -59.11 -40.78 86.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -46.47 81.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.634 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -67.42 -32.94 74.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 111.119 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.36 -48.9 85.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -42.82 87.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.444 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.3 OUTLIER -65.37 -35.39 80.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -64.82 -40.42 95.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' B' ' 623' ' ' ILE . 17.2 ttt180 -66.5 -40.25 89.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.93 -30.37 71.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' B' ' 619' ' ' LEU . 58.3 mt -67.74 -45.65 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.625 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.655 HG12 HG12 ' A' ' 623' ' ' ILE . 3.0 mt -66.2 -39.34 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.22 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.31 -47.21 87.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.238 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.52 -50.54 66.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.027 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.417 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 14.3 mtt -56.94 -40.19 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.576 ' HZ3' ' HE2' ' B' ' 631' ' ' LYS . 4.5 tmtm? -63.05 -45.51 91.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.95 -37.49 81.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.641 ' HG3' ' HZ3' ' C' ' 631' ' ' LYS . 36.9 tp60 -68.02 -50.16 57.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.526 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.6 OUTLIER -60.71 -36.96 80.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.658 ' HZ3' ' HG3' ' A' ' 629' ' ' GLN . 6.3 mmtt -65.91 -39.67 90.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -61.75 -35.35 77.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.947 179.699 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.17 -38.6 66.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 111.865 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.441 HG21 HD13 ' A' ' 637' ' ' LEU . 65.6 mt -64.67 -41.96 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.07 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.449 -179.518 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.599 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.7 OUTLIER -59.6 -43.47 93.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.601 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 5.3 mt -66.13 -41.83 89.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 111.132 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.26 -42.09 99.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.49 89.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.763 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.09 -39.9 91.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.543 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.412 ' O ' HG13 ' B' ' 647' ' ' ILE . 42.1 mm-40 -65.81 -43.7 87.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.282 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.711 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -68.25 -37.46 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.7 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.8 mttm -60.81 -42.88 98.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -63.25 -48.66 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.627 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 643' ' ' GLU . 34.2 mt -62.16 -34.67 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.093 0.473 . . . . 0.0 111.211 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.401 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 4.2 tmm_? -66.43 -49.64 66.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.47 -46.46 80.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.726 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.54 -35.34 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' C' ' 651' ' ' LEU . 0.4 OUTLIER -62.06 -49.65 75.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.714 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.69 -37.5 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.14 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -40.23 93.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.246 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.489 ' HG3' ' HZ3' ' C' ' 659' ' ' LYS . 50.1 tt0 -61.2 -45.11 95.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.509 ' HA ' HG22 ' B' ' 658' ' ' ILE . 53.9 t -60.92 -39.31 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.156 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.62 -36.23 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -50.71 38.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.519 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 4.8 tt -63.28 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 13.1 tttt -65.94 -44.06 86.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -48.01 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -37.5 87.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -33.85 49.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.995 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.75 0.309 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -67.1 -35.38 79.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.48 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.68 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.425 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.522 HG23 HG12 ' A' ' 609' ' ' VAL . 0.2 OUTLIER -64.52 -34.89 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 -179.425 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.24 58.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 111.768 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.17 -40.76 74.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.426 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.07 -40.44 97.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.116 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' C' ' 613' ' ' ARG . 15.8 ttm-85 -59.02 -40.82 86.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.066 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -46.58 80.96 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.588 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -67.24 -33.03 74.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.52 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.29 -48.87 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -42.87 87.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.338 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.444 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.3 OUTLIER -65.41 -35.28 80.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -65.01 -40.23 94.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.531 ' HA ' HD12 ' C' ' 623' ' ' ILE . 17.2 ttt180 -66.59 -40.24 88.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.88 -30.39 71.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.653 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' C' ' 619' ' ' LEU . 58.4 mt -67.69 -45.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.651 HG12 HG12 ' B' ' 623' ' ' ILE . 3.0 mt -66.21 -39.29 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.2 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.37 -47.09 87.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.243 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.63 -50.48 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.417 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 14.3 mtt -57.03 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.585 ' HZ3' ' HE2' ' C' ' 631' ' ' LYS . 4.4 tmtm? -63.03 -45.52 91.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.89 -37.6 81.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.634 ' HG3' ' HZ3' ' A' ' 631' ' ' LYS . 37.0 tp60 -67.93 -50.12 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.523 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.6 OUTLIER -60.84 -36.87 80.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.983 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.641 ' HZ3' ' HG3' ' B' ' 629' ' ' GLN . 6.4 mmtt -65.89 -39.76 90.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -61.65 -35.43 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.07 -38.67 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.02 0.438 . . . . 0.0 111.871 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.429 HG21 HD13 ' B' ' 637' ' ' LEU . 65.5 mt -64.63 -41.94 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.109 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' C' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.425 -179.513 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.87 95.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.604 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.7 OUTLIER -59.55 -43.47 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.599 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 5.3 mt -66.21 -41.75 89.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 12.8 p -61.86 -38.44 88.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.41 ' HB3' HD13 ' A' ' 641' ' ' LEU . 18.7 tt0 -62.28 -42.01 98.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.44 -38.44 89.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.13 -39.87 91.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.517 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.408 ' O ' HG13 ' C' ' 647' ' ' ILE . 42.0 mm-40 -65.98 -43.55 87.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.251 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.694 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -68.28 -37.5 80.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.813 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.711 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.8 mttm -60.78 -42.84 98.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.742 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -63.27 -48.69 77.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.25 -179.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.408 HG13 ' O ' ' C' ' 643' ' ' GLU . 34.3 mt -62.02 -34.79 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.052 0.453 . . . . 0.0 111.193 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' C' ' 648' ' ' ARG . 4.2 tmm_? -66.4 -49.58 66.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.064 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . 0.402 ' HG ' HH12 ' C' ' 648' ' ' ARG . 5.1 mt -56.59 -46.28 80.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.35 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -62.05 -49.64 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.79 -37.48 76.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -40.19 93.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.489 ' HG3' ' HZ3' ' A' ' 659' ' ' LYS . 50.3 tt0 -61.18 -45.15 95.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.49 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.522 ' HA ' HG22 ' C' ' 658' ' ' ILE . 53.7 t -60.84 -39.42 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -61.58 -36.19 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -50.78 38.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.736 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' C' ' 655' ' ' VAL . 4.8 tt -63.22 -40.05 87.57 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.69 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.519 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 13.2 tttt -65.94 -44.11 86.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.98 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -37.45 86.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -33.82 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 19.6 m -65.56 -44.76 85.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.444 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.453 ' O ' HG21 ' A' ' 609' ' ' VAL . 15.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -64.2 -33.69 76.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.58 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.49 92.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.367 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.603 HG23 HG12 ' B' ' 609' ' ' VAL . 4.0 t -63.2 -37.27 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.72 -41.0 98.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.175 0.512 . . . . 0.0 111.826 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.47 -38.95 93.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.425 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.545 ' O ' HG22 ' A' ' 616' ' ' VAL . 28.5 mt -64.75 -38.67 91.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 0.0 111.086 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.48 -39.15 89.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.005 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -45.99 88.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.621 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.529 ' O ' HD13 ' A' ' 619' ' ' LEU . 28.5 tt0 -71.78 -34.57 69.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.999 0.428 . . . . 0.0 111.14 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 612' ' ' LEU . 89.8 t -65.66 -48.34 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.53 HH21 HG12 ' A' ' 616' ' ' VAL . 0.1 OUTLIER -64.05 -49.38 72.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.328 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.99 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 615' ' ' GLN . 0.0 OUTLIER -57.5 -43.42 84.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.042 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 624' ' ' GLU . 0.6 OUTLIER -60.63 -35.32 75.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 9.3 t -68.12 -29.6 68.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 622' ' ' ILE . 65.2 mt -67.56 -34.78 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.623 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.557 HG21 ' SD ' ' C' ' 626' ' ' MET . 2.0 mt -68.73 -43.05 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 6.7 mm-40 -67.17 -38.22 85.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 80.3 p -67.5 -53.21 30.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.549 ' SD ' HG21 ' B' ' 623' ' ' ILE . 26.9 mtt -61.19 -38.05 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.47 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 0.7 OUTLIER -60.52 -43.45 97.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.032 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.92 -45.17 90.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.644 ' HG3' ' HZ3' ' B' ' 631' ' ' LYS . 57.9 tp60 -56.75 -40.21 75.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.809 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.56 70.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.663 ' HZ3' ' HG3' ' C' ' 629' ' ' GLN . 10.1 mmtm -67.23 -36.91 82.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -46.72 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.006 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.95 -36.9 85.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 111.918 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 40.4 mt -66.32 -43.67 91.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.065 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -43.1 95.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.431 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -30.19 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.4 -45.4 72.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -63.77 -36.87 85.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.453 ' OE2' HD23 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -64.18 -39.35 93.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.088 0.47 . . . . 0.0 110.872 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.669 HD22 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.51 -41.33 84.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.782 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.17 -34.85 79.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.468 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 639' ' ' SER . 41.1 mm-40 -61.94 -50.52 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.57 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 3.1 tt0 -64.44 -33.52 76.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.558 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.1 mttm -60.95 -45.56 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -62.03 -45.78 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.48 -39.43 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 121.103 0.478 . . . . 0.0 111.153 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.493 HH21 ' HA ' ' C' ' 644' ' ' GLU . 4.4 tmm_? -64.68 -40.8 96.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.041 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -47.77 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -63.19 -35.73 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.671 HD21 HD22 ' B' ' 651' ' ' LEU . 2.7 tt -60.04 -50.95 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.441 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.1 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.141 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 54.8 mmm -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.39 -39.96 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.517 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.437 ' O ' HG22 ' A' ' 658' ' ' ILE . 5.4 t -65.11 -38.84 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.247 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.423 HD21 ' HA ' ' A' ' 656' ' ' ASN . 11.0 m120 -66.65 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.02 -51.79 59.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.601 HG13 HD11 ' B' ' 662' ' ' LEU . 2.4 tt -64.57 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.671 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.483 ' HE3' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.23 -44.76 82.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.812 0.339 . . . . 0.0 111.042 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -49.21 78.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.91 71.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.369 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.591 HD11 HG13 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -68.77 -41.81 78.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.533 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.43 60.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.467 ' O ' HG21 ' B' ' 609' ' ' VAL . 14.9 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.76 0.314 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -64.14 -33.79 76.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.55 89.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.49 92.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.407 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.603 HG12 HG23 ' A' ' 609' ' ' VAL . 4.0 t -63.23 -37.19 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.88 -40.98 99.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.171 0.51 . . . . 0.0 111.754 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.33 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.476 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.544 ' O ' HG22 ' B' ' 616' ' ' VAL . 28.6 mt -64.79 -38.59 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 111.154 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 613' ' ' ARG . 13.7 ttm180 -61.6 -39.1 90.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.001 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -45.92 88.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.632 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.54 ' O ' HD13 ' B' ' 619' ' ' LEU . 28.4 tt0 -71.79 -34.57 69.52 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 612' ' ' LEU . 90.1 t -65.65 -48.4 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.523 HH21 HG12 ' B' ' 616' ' ' VAL . 0.1 OUTLIER -63.98 -49.39 72.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.367 -179.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -35.94 80.85 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.951 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.54 HD13 ' O ' ' B' ' 615' ' ' GLN . 0.0 OUTLIER -57.56 -43.42 84.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' B' ' 624' ' ' GLU . 0.6 OUTLIER -60.6 -35.39 76.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 9.2 t -68.08 -29.61 68.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.597 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.53 -34.81 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.606 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.549 HG21 ' SD ' ' A' ' 626' ' ' MET . 2.0 mt -68.67 -43.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 6.7 mm-40 -67.22 -38.24 84.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.223 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 79.6 p -67.4 -53.27 30.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.078 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.557 ' SD ' HG21 ' C' ' 623' ' ' ILE . 26.9 mtt -61.1 -38.15 85.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.48 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.7 OUTLIER -60.46 -43.44 96.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -63.82 -45.25 90.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.654 ' HG3' ' HZ3' ' C' ' 631' ' ' LYS . 57.7 tp60 -56.82 -40.17 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -37.54 70.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.973 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.644 ' HZ3' ' HG3' ' A' ' 629' ' ' GLN . 10.2 mmtm -67.11 -36.95 83.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -46.73 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.914 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.819 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 40.7 mt -66.22 -43.74 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.045 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -43.2 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.411 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.955 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -30.06 71.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.772 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.46 -45.37 72.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 639' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -63.78 -36.87 85.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 179.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.455 ' OE2' HD23 ' C' ' 641' ' ' LEU . 1.0 OUTLIER -64.19 -39.36 93.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.46 -41.4 84.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.763 179.6 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.12 -34.96 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.441 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' B' ' 639' ' ' SER . 41.1 mm-40 -61.92 -50.47 72.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.243 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.59 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 3.1 tt0 -64.55 -33.35 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.57 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.1 mttm -61.05 -45.54 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.712 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.471 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -61.99 -45.86 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.47 -39.37 85.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 111.192 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.489 HH21 ' HA ' ' A' ' 644' ' ' GLU . 4.3 tmm_? -64.69 -40.86 96.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -47.94 83.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.05 -35.81 81.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.671 HD22 HD21 ' A' ' 651' ' ' LEU . 2.7 tt -60.02 -50.97 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.738 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.428 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.6 tt0 -57.65 -37.05 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 55.1 mmm -64.91 -34.72 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 111.308 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.4 -39.98 85.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.468 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.432 ' O ' HG22 ' B' ' 658' ' ' ILE . 5.5 t -65.16 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.67 -35.2 79.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.06 -51.77 59.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.581 HG13 HD11 ' C' ' 662' ' ' LEU . 2.4 tt -64.61 -29.35 47.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.664 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.463 ' HE3' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.2 -44.79 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -49.31 78.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.87 71.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.373 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -68.8 -41.79 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -28.5 59.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.461 ' O ' HG21 ' C' ' 609' ' ' VAL . 15.0 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.756 0.312 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -64.18 -33.84 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.57 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.35 91.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.421 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.602 HG12 HG23 ' B' ' 609' ' ' VAL . 4.0 t -63.24 -37.28 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.76 -41.01 99.02 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.175 0.512 . . . . 0.0 111.793 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.45 -38.92 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.398 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.527 ' O ' HG22 ' C' ' 616' ' ' VAL . 28.7 mt -64.75 -38.62 91.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.198 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' C' ' 613' ' ' ARG . 13.6 ttm180 -61.51 -39.18 90.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.89 89.11 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.684 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.523 ' O ' HD13 ' C' ' 619' ' ' LEU . 28.5 tt0 -71.84 -34.49 69.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.97 0.414 . . . . 0.0 111.166 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.529 HG12 HH21 ' C' ' 617' ' ' ARG . 89.3 t -65.76 -48.29 82.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.529 HH21 HG12 ' C' ' 616' ' ' VAL . 0.1 OUTLIER -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -179.731 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -36.01 80.8 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.023 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.523 HD13 ' O ' ' C' ' 615' ' ' GLN . 0.0 OUTLIER -57.57 -43.43 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' C' ' 624' ' ' GLU . 0.6 OUTLIER -60.54 -35.35 75.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.031 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 9.3 t -68.13 -29.62 68.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.593 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.401 HD11 HG21 ' C' ' 622' ' ' ILE . 65.2 mt -67.51 -34.77 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.696 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.557 HG21 ' SD ' ' B' ' 626' ' ' MET . 2.1 mt -68.73 -43.04 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 6.7 mm-40 -67.19 -38.14 84.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 80.4 p -67.53 -53.33 29.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.557 ' SD ' HG21 ' A' ' 623' ' ' ILE . 26.9 mtt -61.09 -38.07 84.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.473 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 0.8 OUTLIER -60.52 -43.48 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -63.83 -45.25 90.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.663 ' HG3' ' HZ3' ' A' ' 631' ' ' LYS . 57.8 tp60 -56.78 -40.19 75.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -37.58 71.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.654 ' HZ3' ' HG3' ' B' ' 629' ' ' GLN . 10.1 mmtm -67.16 -36.93 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -46.74 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.051 0.453 . . . . 0.0 111.864 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.25 -43.76 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.055 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -43.28 95.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.417 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -42.74 99.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -30.16 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.714 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.44 -45.4 72.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.109 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 639' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -63.73 -36.85 85.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.75 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.467 ' OE2' HD23 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -64.16 -39.42 93.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -67.4 -41.36 85.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.829 179.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.2 -34.88 79.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.453 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' C' ' 639' ' ' SER . 41.0 mm-40 -61.91 -50.55 71.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.206 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.558 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 3.1 tt0 -64.5 -33.43 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.59 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.1 mttm -60.98 -45.52 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -62.0 -45.84 91.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.46 -39.36 85.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 111.216 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.498 HH21 ' HA ' ' B' ' 644' ' ' GLU . 4.3 tmm_? -64.67 -40.78 96.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -47.88 84.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -63.17 -35.79 81.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.67 HD22 HD21 ' B' ' 651' ' ' LEU . 2.7 tt -59.99 -50.97 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.423 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.04 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.174 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 54.6 mmm -64.99 -34.7 79.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.47 -39.83 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.423 ' O ' HG22 ' C' ' 658' ' ' ILE . 5.5 t -65.25 -38.82 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.65 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.97 -51.92 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.591 HG13 HD11 ' A' ' 662' ' ' LEU . 2.4 tt -64.53 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.681 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.479 ' HE3' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.15 -44.75 83.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.057 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -49.21 78.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.88 71.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.581 HD11 HG13 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -68.84 -41.75 78.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.48 60.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.56 -27.89 68.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.075 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.518 ' O ' HG21 ' A' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . 0.736 ' HA ' ' OE1' ' A' ' 606' ' ' GLN . 0.0 OUTLIER -69.93 -32.39 70.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.37 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . 0.598 ' HB3' HG12 ' B' ' 609' ' ' VAL . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.463 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' C' ' 608' ' ' ALA . 34.6 t -63.36 -41.2 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.56 -43.18 99.45 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.145 0.498 . . . . 0.0 111.811 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.97 -44.06 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.408 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' B' ' 613' ' ' ARG . 34.5 mt -63.84 -34.94 79.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.497 ' HG3' HD23 ' C' ' 612' ' ' LEU . 16.2 ttm-85 -62.45 -44.01 97.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -48.15 83.16 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.567 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.58 -38.14 83.63 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.977 0.417 . . . . 0.0 111.15 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 612' ' ' LEU . 11.0 t -61.48 -49.66 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -46.36 84.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.362 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -30.49 71.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.994 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.526 ' HG ' ' HG3' ' B' ' 620' ' ' ARG . 0.0 OUTLIER -62.14 -48.75 78.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.037 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.728 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -63.41 -44.74 93.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -37.17 70.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.667 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.509 HG22 ' SD ' ' A' ' 626' ' ' MET . 56.3 mt -68.46 -40.88 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.554 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 620' ' ' ARG . 7.8 mt -61.67 -41.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.216 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 9.4 mm-40 -61.72 -42.51 99.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -44.42 96.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.976 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.509 ' SD ' HG22 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.45 -45.87 82.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.79 -27.1 60.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.7 65.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.44 ' HG3' ' HZ2' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -68.66 -36.06 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.458 ' HZ2' ' HG3' ' C' ' 630' ' ' GLN . 8.4 mmtt -62.93 -48.33 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -62.63 -37.05 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.025 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.54 -43.13 85.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.061 0.458 . . . . 0.0 111.89 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.457 ' O ' HD11 ' A' ' 638' ' ' LEU . 55.4 mt -66.45 -32.93 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.078 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.801 ' HA ' HD11 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.1 -44.39 88.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.492 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -38.01 86.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' C' ' 637' ' ' LEU . 0.4 OUTLIER -63.98 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.801 HD11 ' HA ' ' A' ' 635' ' ' LYS . 2.2 mt -62.88 -48.73 77.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.6 -32.05 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.525 ' HB3' HD13 ' B' ' 641' ' ' LEU . 11.6 tt0 -68.27 -41.48 80.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 110.937 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.3 OUTLIER -66.34 -39.25 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.756 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.34 -46.67 89.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.509 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.26 -44.28 88.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.25 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.594 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 2.3 tt0 -70.33 -33.0 70.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.594 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 2.7 mttt -64.6 -46.91 80.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -45.04 95.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.44 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 121.079 0.466 . . . . 0.0 111.227 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 0.9 OUTLIER -68.1 -38.38 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.043 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.94 -44.34 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.34 -28.74 68.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -63.7 -50.09 70.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.591 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.5 tt0 -60.83 -40.66 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.203 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 32.5 mmm -61.72 -39.04 90.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.331 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 658' ' ' ILE . 48.0 tt0 -66.11 -37.4 85.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.522 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.7 t -70.05 -38.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.162 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . 0.459 HD21 ' HA ' ' A' ' 656' ' ' ASN . 1.7 m120 -64.65 -42.34 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.06 -51.47 67.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.817 HG13 HD21 ' B' ' 662' ' ' LEU . 13.6 tt -65.8 -30.88 51.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.718 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.62 ' HE3' ' HB ' ' C' ' 658' ' ' ILE . 3.6 tttt -67.95 -40.31 83.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -37.73 88.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.82 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.362 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.802 HD21 HG13 ' C' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -26.58 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.516 ' O ' HG21 ' B' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.796 0.331 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . 0.724 ' HA ' ' OE1' ' B' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.35 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.807 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . 0.598 ' HB3' HG12 ' C' ' 609' ' ' VAL . . . -64.62 -34.78 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.477 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.598 HG12 ' HB3' ' A' ' 608' ' ' ALA . 34.4 t -63.37 -41.15 91.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.58 -43.18 99.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.102 0.477 . . . . 0.0 111.793 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.519 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.497 HD23 ' HG3' ' C' ' 613' ' ' ARG . 34.5 mt -63.86 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.127 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.491 ' HG3' HD23 ' A' ' 612' ' ' LEU . 16.2 ttm-85 -62.44 -44.03 97.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -48.08 83.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.65 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.59 -38.1 83.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 612' ' ' LEU . 11.0 t -61.53 -49.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -46.34 84.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.308 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -30.58 71.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.531 ' HG ' ' HG3' ' C' ' 620' ' ' ARG . 0.0 OUTLIER -62.13 -48.74 78.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -63.43 -44.75 93.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -37.28 70.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.639 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.524 HG22 ' SD ' ' B' ' 626' ' ' MET . 56.4 mt -68.4 -40.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.048 0.452 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' B' ' 620' ' ' ARG . 7.8 mt -61.65 -41.8 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 9.5 mm-40 -61.68 -42.48 98.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.266 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -44.34 97.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.017 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.524 ' SD ' HG22 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -69.16 -29.48 67.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.42 -45.91 82.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.77 -27.08 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.79 65.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.754 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.456 ' HG3' ' HZ2' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -68.66 -35.94 77.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.054 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.44 ' HZ2' ' HG3' ' A' ' 630' ' ' GLN . 8.4 mmtt -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -62.66 -37.04 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.007 179.714 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.402 ' OE1' HD13 ' C' ' 634' ' ' ILE . 1.1 tt0 -66.5 -43.11 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.057 0.456 . . . . 0.0 111.943 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.445 ' O ' HD11 ' B' ' 638' ' ' LEU . 55.4 mt -66.44 -32.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.804 ' HA ' HD11 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.05 -44.48 88.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.461 -179.561 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -37.97 85.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.406 HD12 ' HB3' ' C' ' 637' ' ' LEU . 0.4 OUTLIER -64.07 -38.71 92.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.804 HD11 ' HA ' ' B' ' 635' ' ' LYS . 2.2 mt -62.82 -48.76 77.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.54 -32.12 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.53 ' HB3' HD13 ' C' ' 641' ' ' LEU . 11.7 tt0 -68.36 -41.54 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.3 OUTLIER -66.2 -39.3 89.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.768 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.36 -46.65 89.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.499 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -44.31 88.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.269 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.621 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 2.3 tt0 -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.594 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 2.7 mttt -64.63 -46.94 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.09 95.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.42 -35.32 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 111.168 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.411 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.9 OUTLIER -68.12 -38.35 82.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.058 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.04 -44.32 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.31 -28.79 68.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.693 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -63.58 -50.16 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.6 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.5 tt0 -60.86 -40.65 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 653' ' ' MET . . . . . 0.43 ' HE3' ' HB3' ' B' ' 653' ' ' MET . 32.6 mmm -61.69 -39.08 90.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.358 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.454 ' O ' HG22 ' B' ' 658' ' ' ILE . 47.9 tt0 -66.07 -37.45 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.509 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.7 t -70.04 -38.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 111.162 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . 0.421 HD21 ' HA ' ' B' ' 656' ' ' ASN . 1.7 m120 -64.56 -42.42 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.05 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.816 HG13 HD21 ' C' ' 662' ' ' LEU . 13.6 tt -65.76 -30.95 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.66 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.612 ' HE3' ' HB ' ' A' ' 658' ' ' ILE . 3.6 tttt -67.9 -40.36 83.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.79 88.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.79 72.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.332 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.817 HD21 HG13 ' A' ' 658' ' ' ILE . 2.3 tp -66.28 -33.63 76.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.61 35.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.509 ' O ' HG21 ' C' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.752 0.31 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . 0.725 ' HA ' ' OE1' ' C' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.37 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . 0.597 ' HB3' HG12 ' A' ' 609' ' ' VAL . . . -64.64 -34.75 79.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.598 HG12 ' HB3' ' B' ' 608' ' ' ALA . 34.5 t -63.42 -41.1 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.72 -43.04 99.82 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.147 0.499 . . . . 0.0 111.746 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -43.9 91.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.433 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.497 HD23 ' HG3' ' A' ' 613' ' ' ARG . 34.4 mt -63.9 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.107 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.497 ' HG3' HD23 ' B' ' 612' ' ' LEU . 16.2 ttm-85 -62.48 -44.04 97.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.02 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -48.03 83.68 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.686 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.66 -38.09 83.29 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.109 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.419 HG22 ' O ' ' C' ' 612' ' ' LEU . 10.8 t -61.59 -49.56 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -46.42 84.44 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.321 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.542 ' HG ' ' HG3' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -62.08 -48.81 78.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.728 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -63.42 -44.75 93.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.634 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.523 HG22 ' SD ' ' C' ' 626' ' ' MET . 56.0 mt -68.51 -40.83 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.61 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' C' ' 620' ' ' ARG . 7.8 mt -61.66 -41.87 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 9.6 mm-40 -61.7 -42.51 99.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.193 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -44.46 96.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.998 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.523 ' SD ' HG22 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -69.13 -29.48 67.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.5 -45.74 82.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.86 -27.09 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.016 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.75 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.773 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.458 ' HG3' ' HZ2' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -68.6 -36.05 78.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.803 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.456 ' HZ2' ' HG3' ' B' ' 630' ' ' GLN . 8.4 mmtt -62.96 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -62.58 -37.12 84.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.974 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.4 ' OE1' HD13 ' A' ' 634' ' ' ILE . 1.1 tt0 -66.55 -43.11 85.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.929 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.454 ' O ' HD11 ' C' ' 638' ' ' LEU . 55.5 mt -66.34 -32.91 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.18 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.783 ' HA ' HD11 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.17 -44.47 88.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.51 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -38.0 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 637' ' ' LEU . 0.4 OUTLIER -64.06 -38.66 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' C' ' 635' ' ' LYS . 2.2 mt -62.86 -48.78 77.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 23.4 p -60.6 -32.02 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.514 ' HB3' HD13 ' A' ' 641' ' ' LEU . 11.6 tt0 -68.33 -41.53 80.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.3 OUTLIER -66.27 -39.2 89.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.818 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.42 -46.65 89.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.496 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.23 -44.3 88.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.277 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.594 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 2.3 tt0 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.621 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 2.7 mttt -64.71 -46.9 80.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.11 95.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.256 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 18.9 mt -65.42 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.059 0.457 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -38.3 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.044 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.03 -44.37 92.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.28 -28.8 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.667 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -63.58 -50.14 70.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.767 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.597 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.6 tt0 -60.87 -40.66 93.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 653' ' ' MET . . . . . 0.443 ' HB3' ' HE3' ' C' ' 653' ' ' MET . 32.6 mmm -61.7 -38.98 89.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.45 ' O ' HG22 ' C' ' 658' ' ' ILE . 48.0 tt0 -66.19 -37.31 85.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.536 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.583 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.7 t -70.09 -38.21 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.133 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . 0.423 HD21 ' HA ' ' C' ' 656' ' ' ASN . 1.7 m120 -64.64 -42.36 95.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.1 -51.46 67.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.785 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.802 HG13 HD21 ' A' ' 662' ' ' LEU . 13.5 tt -65.8 -30.97 51.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.614 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.598 ' HE3' ' HB ' ' B' ' 658' ' ' ILE . 3.6 tttt -67.88 -40.29 83.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -37.74 88.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.8 72.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.816 HD21 HG13 ' B' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -26.57 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -46.31 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.446 ' HB2' ' HG2' ' B' ' 606' ' ' GLN . 4.7 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.747 0.308 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . 0.52 ' HA ' HG21 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -68.47 -29.35 67.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.22 86.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.27 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.447 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.611 HG23 HG12 ' B' ' 609' ' ' VAL . 0.4 OUTLIER -69.19 -35.65 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 -179.569 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.57 -42.18 95.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.218 0.532 . . . . 0.0 111.745 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -43.76 98.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.425 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' B' ' 613' ' ' ARG . 12.2 mt -63.89 -33.91 76.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 111.109 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.473 ' HG3' HD23 ' C' ' 612' ' ' LEU . 40.9 ttm-85 -60.47 -49.48 77.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -48.09 83.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.682 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.91 -45.81 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -45.05 92.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.288 -179.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -64.91 -32.12 73.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.044 179.653 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.71 -47.49 80.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.549 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -64.06 -37.76 88.61 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 618' ' ' GLU . 75.7 mt -65.69 -44.05 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.615 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.9 mt -65.78 -43.69 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.201 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.5 80.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -42.34 93.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.055 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.53 -35.45 80.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.708 ' HZ3' ' HE2' ' A' ' 631' ' ' LYS . 4.3 tmtm? -64.39 -45.86 85.84 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.21 -42.32 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.728 ' HG3' ' HZ3' ' B' ' 631' ' ' LYS . 58.9 tp60 -61.59 -38.9 89.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -41.14 65.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.732 ' HZ3' ' HG3' ' C' ' 629' ' ' GLN . 10.4 mmtt -62.27 -43.02 99.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.19 85.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.044 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.676 ' HB3' HG22 ' B' ' 634' ' ' ILE . 2.5 mt-10 -65.47 -43.67 89.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.044 0.45 . . . . 0.0 111.956 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.659 HG22 ' HB3' ' C' ' 633' ' ' GLU . 7.1 mt -70.22 -40.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -46.09 89.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.471 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -41.15 99.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.563 HD13 HG21 ' B' ' 634' ' ' ILE . 0.8 OUTLIER -57.2 -40.73 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.633 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.539 HD11 HG23 ' A' ' 634' ' ' ILE . 1.4 mt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.33 -40.86 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.454 ' HG2' HD23 ' B' ' 641' ' ' LEU . 71.0 tt0 -62.68 -47.17 84.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.021 0.439 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.486 HD11 ' CG ' ' C' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.77 81.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.799 179.581 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.482 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.662 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.57 95.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.24 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.444 ' HG2' ' HE ' ' B' ' 648' ' ' ARG . 1.3 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.05 -45.87 90.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.432 ' HG3' ' HD2' ' A' ' 650' ' ' ARG . 0.1 OUTLIER -65.38 -41.12 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.105 0.479 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 648' ' ' ARG . 3.1 tmm_? -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.099 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -50.58 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.432 ' HD2' ' HG3' ' A' ' 646' ' ' LYS . 3.4 mtp180 -62.65 -31.34 72.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.663 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' B' ' 652' ' ' GLN . 0.1 OUTLIER -62.72 -48.36 79.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' C' ' 651' ' ' LEU . 5.0 tt0 -60.85 -34.41 74.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 653' ' ' MET . . . . . 0.449 ' HB3' ' HE3' ' A' ' 653' ' ' MET . 52.6 mmm -68.98 -31.61 70.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.483 ' O ' HG22 ' A' ' 658' ' ' ILE . 57.2 tt0 -70.01 -39.78 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.448 HG21 HD23 ' C' ' 651' ' ' LEU . 9.1 t -68.86 -39.11 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.75 -40.65 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.574 HG12 HD11 ' C' ' 658' ' ' ILE . 5.8 tt -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.0 OUTLIER -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.85 83.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.66 88.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.35 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.72 -18.31 62.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.62 30.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.448 ' HB2' ' HG2' ' C' ' 606' ' ' GLN . 4.7 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . 0.525 ' HA ' HG21 ' B' ' 609' ' ' VAL . 0.0 OUTLIER -68.42 -29.45 68.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.32 87.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.32 80.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.491 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.611 HG12 HG23 ' A' ' 609' ' ' VAL . 0.4 OUTLIER -69.23 -35.62 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 -179.525 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.64 -42.13 95.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.191 0.519 . . . . 0.0 111.811 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -43.73 98.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' C' ' 613' ' ' ARG . 12.1 mt -63.93 -33.89 76.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.085 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.481 ' HG3' HD23 ' A' ' 612' ' ' LEU . 40.9 ttm-85 -60.44 -49.53 77.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -48.1 83.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.692 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -41.85 93.62 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.92 -45.84 91.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.57 -44.93 92.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.392 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -65.02 -32.06 73.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.74 -47.45 81.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.8 OUTLIER -63.98 -37.84 88.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.841 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 618' ' ' GLU . 75.5 mt -65.66 -44.06 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.603 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.9 mt -65.79 -43.68 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.194 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.48 80.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.202 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.52 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.714 ' HZ3' ' HE2' ' B' ' 631' ' ' LYS . 4.4 tmtm? -64.34 -45.89 85.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.11 -42.48 93.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.078 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.725 ' HG3' ' HZ3' ' C' ' 631' ' ' LYS . 58.9 tp60 -61.5 -38.84 88.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.728 ' HZ3' ' HG3' ' A' ' 629' ' ' GLN . 10.4 mmtt -62.26 -43.0 99.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -65.72 -37.27 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.98 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' C' ' 634' ' ' ILE . 2.5 mt-10 -65.53 -43.71 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.083 0.468 . . . . 0.0 111.893 -179.006 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.676 HG22 ' HB3' ' A' ' 633' ' ' GLU . 7.1 mt -70.09 -40.39 78.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.114 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -46.09 89.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.465 -179.52 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -41.05 99.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.993 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.577 HD13 HG21 ' C' ' 634' ' ' ILE . 0.8 OUTLIER -57.31 -40.68 78.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.744 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.542 HD11 HG23 ' B' ' 634' ' ' ILE . 1.4 mt -63.11 -45.01 94.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.35 -40.82 87.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.445 ' HG2' HD23 ' C' ' 641' ' ' LEU . 71.3 tt0 -62.75 -47.06 85.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.012 0.434 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.488 ' CG ' HD11 ' C' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.75 81.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.801 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.51 98.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.5 -179.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.652 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.63 96.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.229 179.248 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.446 ' HG2' ' HE ' ' C' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.41 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.14 -45.78 90.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.754 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.429 ' HG3' ' HD2' ' B' ' 650' ' ' ARG . 0.1 OUTLIER -65.28 -41.21 94.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -179.708 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.652 HG13 ' O ' ' B' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.079 0.466 . . . . 0.0 111.158 -179.588 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.444 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 3.1 tmm_? -64.61 -39.61 94.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.731 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.429 ' HD2' ' HG3' ' B' ' 646' ' ' LYS . 3.5 mtp180 -62.69 -31.28 72.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.639 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' C' ' 652' ' ' GLN . 0.1 OUTLIER -62.7 -48.42 79.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.617 ' HB2' HD13 ' A' ' 651' ' ' LEU . 4.9 tt0 -60.67 -34.53 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.229 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 653' ' ' MET . . . . . 0.472 ' HE3' ' HB3' ' B' ' 653' ' ' MET . 52.8 mmm -69.06 -31.48 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.348 -179.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.47 ' O ' HG22 ' B' ' 658' ' ' ILE . 57.2 tt0 -70.04 -39.78 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.469 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.447 HG21 HD23 ' A' ' 651' ' ' LEU . 9.2 t -68.87 -39.11 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 111.153 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.74 -40.68 92.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -47.54 79.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.764 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.585 HD11 HG12 ' C' ' 658' ' ' ILE . 5.8 tt -66.77 -31.6 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.623 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.0 OUTLIER -64.6 -41.3 96.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.89 83.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.62 88.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.8 -18.2 62.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -19.63 30.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.423 ' HB2' ' HG2' ' A' ' 606' ' ' GLN . 4.7 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . 0.505 ' HA ' HG21 ' C' ' 609' ' ' VAL . 0.0 OUTLIER -68.51 -29.32 67.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.89 -37.21 86.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.29 80.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.439 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.605 HG12 HG23 ' B' ' 609' ' ' VAL . 0.4 OUTLIER -69.23 -35.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.546 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.68 -42.1 95.59 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 111.739 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.503 179.382 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.502 ' HA ' HD22 ' C' ' 612' ' ' LEU . 12.2 mt -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.099 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.477 ' HG3' HD23 ' B' ' 612' ' ' LEU . 40.9 ttm-85 -60.52 -49.53 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.005 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -48.11 83.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.648 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.8 93.51 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.185 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.98 -45.83 91.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.5 -45.01 92.64 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.321 -179.761 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.464 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -64.97 -32.13 73.71 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.76 -47.49 80.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.756 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.55 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -63.96 -37.75 88.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.811 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -36.91 85.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.464 HG13 ' O ' ' C' ' 618' ' ' GLU . 75.6 mt -65.72 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.9 mt -65.85 -43.63 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.19 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.42 -46.41 80.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.273 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 19.9 mtt -64.54 -35.54 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.71 ' HZ3' ' HE2' ' C' ' 631' ' ' LYS . 4.4 tmtm? -64.27 -45.88 86.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.24 -42.35 93.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.024 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.732 ' HG3' ' HZ3' ' A' ' 631' ' ' LYS . 58.8 tp60 -61.53 -38.87 88.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.677 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -41.25 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.725 ' HZ3' ' HG3' ' B' ' 629' ' ' GLN . 10.4 mmtt -62.16 -43.05 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' C' ' 632' ' ' ARG . 8.7 tpt180 -65.78 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.993 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.659 ' HB3' HG22 ' A' ' 634' ' ' ILE . 2.5 mt-10 -65.46 -43.76 89.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.892 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.685 HG22 ' HB3' ' B' ' 633' ' ' GLU . 7.1 mt -70.14 -40.33 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.128 179.249 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -46.1 89.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.456 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -41.06 99.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.957 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.57 HD13 HG21 ' A' ' 634' ' ' ILE . 0.8 OUTLIER -57.27 -40.73 78.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.541 HD11 HG23 ' C' ' 634' ' ' ILE . 1.4 mt -63.04 -45.09 93.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.28 -40.91 87.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.449 ' HG2' HD23 ' A' ' 641' ' ' LEU . 71.2 tt0 -62.66 -47.06 85.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.027 0.441 . . . . 0.0 110.96 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.488 HD11 ' CG ' ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.08 -35.72 81.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.792 179.517 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -41.56 98.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.49 -179.344 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.663 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 mm-40 -64.51 -40.6 95.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.432 ' HG2' ' HE ' ' A' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.4 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.08 -45.86 90.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.416 ' HG3' ' HD2' ' C' ' 650' ' ' ARG . 0.1 OUTLIER -65.31 -41.17 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -179.68 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.663 HG13 ' O ' ' C' ' 643' ' ' GLU . 17.7 mt -65.1 -42.06 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.988 0.423 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.446 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 3.1 tmm_? -64.55 -39.73 94.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -50.64 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.416 ' HD2' ' HG3' ' C' ' 646' ' ' LYS . 3.4 mtp180 -62.73 -31.26 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.684 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 652' ' ' GLN . 0.1 OUTLIER -62.68 -48.38 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.795 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.631 ' HB2' HD13 ' B' ' 651' ' ' LEU . 4.9 tt0 -60.87 -34.39 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 653' ' ' MET . . . . . 0.5 ' HE3' ' HB3' ' C' ' 653' ' ' MET . 52.6 mmm -69.02 -31.64 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 111.336 -179.767 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.474 ' O ' HG22 ' C' ' 658' ' ' ILE . 57.2 tt0 -69.92 -39.86 75.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.44 HG21 HD23 ' B' ' 651' ' ' LEU . 9.1 t -68.77 -39.12 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.499 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.8 -40.6 92.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 179.535 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.585 HG12 HD11 ' B' ' 658' ' ' ILE . 5.8 tt -66.69 -31.56 54.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.67 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.556 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.0 OUTLIER -64.63 -41.36 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -47.89 83.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.59 88.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.344 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.649 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.1 tt -70.76 -18.25 62.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.63 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.57 -34.78 40.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.649 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.4 -44.59 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.48 94.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.98 73.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.437 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.63 -39.41 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.53 76.01 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.213 0.53 . . . . 0.0 111.81 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.72 -39.69 81.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.417 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.584 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.89 74.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.815 0.341 . . . . 0.0 111.23 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.466 ' HG2' HD21 ' C' ' 612' ' ' LEU . 9.4 mmt180 -62.88 -47.14 84.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.042 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.475 ' H ' HG22 ' A' ' 614' ' ' THR . 0.0 OUTLIER -68.14 -30.07 69.11 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.635 179.892 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.19 -46.83 69.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.175 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 16.5 m -67.64 -41.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.31 -51.67 68.83 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.15 72.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.551 ' HA ' HD11 ' A' ' 622' ' ' ILE . 8.8 mt -60.42 -38.8 85.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -64.19 -34.61 78.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -31.74 65.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.551 HD11 ' HA ' ' A' ' 619' ' ' LEU . 21.1 mt -64.24 -45.74 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.54 -179.578 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.44 -38.48 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.208 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.28 -48.23 68.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.245 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p -61.87 -42.9 99.62 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.512 ' HB3' ' HG3' ' B' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.15 77.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.734 ' HZ3' ' HB3' ' C' ' 629' ' ' GLN . 0.2 OUTLIER -70.89 -37.09 72.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.876 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.45 -35.43 80.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.728 ' HB3' ' HZ3' ' B' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.71 69.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.404 HE21 ' HG2' ' B' ' 627' ' ' LYS . 1.5 tp-100 -61.03 -46.4 90.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.08 84.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.027 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.87 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.056 0.455 . . . . 0.0 111.887 -179.081 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.543 HG22 HD13 ' C' ' 637' ' ' LEU . 52.4 mt -58.31 -46.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.072 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -43.0 76.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.446 -179.482 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.58 -39.88 92.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.56 HD13 HG22 ' B' ' 634' ' ' ILE . 0.3 OUTLIER -63.2 -34.8 78.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.5 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 0.7 OUTLIER -71.2 -31.13 67.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.763 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -44.58 96.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.705 179.608 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.72 -42.48 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 647' ' ' ILE . 85.3 mt-10 -61.18 -46.58 89.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.645 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 27.0 tt0 -66.25 -33.04 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.644 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 13.5 mmtt -64.02 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -62.93 -48.39 79.11 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -179.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 643' ' ' GLU . 2.1 mt -62.3 -38.76 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.115 0.483 . . . . 0.0 111.179 -179.595 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' C' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.35 96.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.066 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.746 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.2 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.438 ' HA ' HD12 ' A' ' 651' ' ' LEU . 12.8 tp -63.3 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.788 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.434 ' HB3' ' HE1' ' A' ' 653' ' ' MET . 0.3 OUTLIER -62.08 -44.46 96.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.17 -179.833 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 653' ' ' MET . . . . . 0.434 ' HE1' ' HB3' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -65.97 -39.29 90.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.312 -179.731 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.623 ' O ' HG13 ' A' ' 658' ' ' ILE . 6.0 tt0 -64.03 -40.43 96.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.483 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.39 -46.77 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 111.141 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -56.19 -39.77 72.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.84 98.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 654' ' ' GLU . 8.5 mt -65.78 -45.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.697 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.563 ' HB2' HD12 ' C' ' 658' ' ' ILE . 4.8 tttt -62.06 -44.55 96.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.98 -40.54 96.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.94 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.357 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.483 ' HG ' HD13 ' B' ' 662' ' ' LEU . 1.1 mt -76.71 -31.18 57.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 7.2 mm100 -86.04 -28.64 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.906 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -60.44 -44.52 95.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.47 94.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.03 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.57 -39.36 85.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.679 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.65 75.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 111.764 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.54 -39.73 81.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.5 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.584 ' HB3' ' HG ' ' A' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.95 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.477 ' HG2' HD21 ' A' ' 612' ' ' LEU . 9.4 mmt180 -62.92 -47.01 85.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.047 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 614' ' ' THR . . . . . 0.496 ' H ' HG22 ' B' ' 614' ' ' THR . 0.0 OUTLIER -68.2 -30.15 69.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.545 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.14 -46.82 69.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.001 0.429 . . . . 0.0 111.188 -179.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 16.4 m -67.63 -41.31 85.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.22 -51.76 68.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.6 -31.12 72.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.568 ' HA ' HD11 ' B' ' 622' ' ' ILE . 8.8 mt -60.45 -38.74 85.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -64.26 -34.53 78.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -31.7 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' B' ' 619' ' ' LEU . 21.0 mt -64.24 -45.66 95.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.462 ' H ' HG13 ' B' ' 623' ' ' ILE . 1.5 mt -66.54 -38.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -48.24 68.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.8 -42.92 99.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.498 ' HB3' ' HG3' ' C' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.16 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.728 ' HZ3' ' HB3' ' A' ' 629' ' ' GLN . 0.2 OUTLIER -70.93 -37.11 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.46 -35.4 80.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.715 ' HB3' ' HZ3' ' C' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.74 68.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.408 HE21 ' HG2' ' C' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.47 90.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.05 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.51 90.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.94 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.8 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 111.846 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.56 HG22 HD13 ' A' ' 637' ' ' LEU . 52.5 mt -58.29 -47.04 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.128 179.246 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -43.02 76.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.428 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.91 92.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.544 HD13 HG22 ' C' ' 634' ' ' ILE . 0.3 OUTLIER -63.11 -34.88 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.612 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.495 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 0.7 OUTLIER -71.21 -31.12 67.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.712 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.15 -41.79 98.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.71 -44.59 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.784 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.71 -42.53 97.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.487 -179.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.527 ' O ' HG13 ' B' ' 647' ' ' ILE . 85.3 mt-10 -61.27 -46.48 90.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.249 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.651 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 27.0 tt0 -66.3 -32.96 74.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.922 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.645 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 13.6 mmtt -64.06 -45.12 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -63.04 -48.25 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 643' ' ' GLU . 2.1 mt -62.3 -38.79 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 111.177 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.478 HH11 ' HG3' ' A' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.34 96.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.017 -179.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.04 -39.21 93.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -41.18 91.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.652 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' B' ' 651' ' ' LEU . 12.7 tp -63.29 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.445 ' HB3' ' HE1' ' B' ' 653' ' ' MET . 0.4 OUTLIER -62.1 -44.42 96.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.145 -179.751 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 653' ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -66.05 -39.26 89.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.241 -179.653 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.624 ' O ' HG13 ' B' ' 658' ' ' ILE . 6.0 tt0 -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.33 -46.67 92.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 111.196 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -56.34 -39.84 73.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.23 -43.83 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 654' ' ' GLU . 8.6 mt -65.88 -45.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.614 -179.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.554 ' HB2' HD12 ' A' ' 658' ' ' ILE . 4.8 tttt -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.85 -40.63 97.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.77 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.377 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.488 ' HG ' HD13 ' C' ' 662' ' ' LEU . 1.1 mt -76.78 -31.11 56.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' B' ' 659' ' ' LYS . 7.2 mm100 -86.09 -28.64 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.925 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.736 0.303 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.34 -44.56 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.5 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.0 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.458 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.64 -39.36 85.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.636 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.33 -46.52 76.35 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.768 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.6 -39.75 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.457 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.576 ' HG ' ' HB3' ' A' ' 612' ' ' LEU . 2.0 mm? -65.86 -32.87 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 -179.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.486 ' HG2' HD21 ' B' ' 612' ' ' LEU . 9.4 mmt180 -62.98 -47.07 84.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.995 -179.733 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 614' ' ' THR . . . . . 0.501 ' H ' HG22 ' C' ' 614' ' ' THR . 0.0 OUTLIER -68.14 -30.1 69.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.609 179.899 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.22 -46.82 69.52 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 111.159 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.401 ' HA ' HD13 ' C' ' 619' ' ' LEU . 16.5 m -67.69 -41.19 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.35 -51.62 69.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.13 72.21 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.012 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.563 ' HA ' HD11 ' C' ' 622' ' ' ILE . 8.8 mt -60.45 -38.73 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.996 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -64.29 -34.5 78.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -31.72 65.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' C' ' 619' ' ' LEU . 21.2 mt -64.15 -45.8 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.623 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.436 ' H ' HG13 ' C' ' 623' ' ' ILE . 1.4 mt -66.41 -38.39 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.226 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.35 -48.27 67.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.417 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.75 -42.95 99.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.51 ' HB3' ' HG3' ' A' ' 627' ' ' LYS . 17.5 mtt -65.33 -34.18 77.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.715 ' HZ3' ' HB3' ' B' ' 629' ' ' GLN . 0.2 OUTLIER -70.85 -37.09 73.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.44 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.734 ' HB3' ' HZ3' ' A' ' 627' ' ' LYS . 6.2 tp60 -69.28 -45.71 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.796 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.406 HE21 ' HG2' ' A' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.4 90.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.04 -39.16 84.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -45.52 90.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.01 179.597 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.91 -42.6 99.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 111.843 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.544 HG22 HD13 ' B' ' 637' ' ' LEU . 52.5 mt -58.27 -46.95 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.153 179.205 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -43.04 76.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.4 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.9 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.543 HD13 HG22 ' A' ' 634' ' ' ILE . 0.3 OUTLIER -63.09 -34.89 78.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.515 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 0.7 OUTLIER -71.17 -31.14 67.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.72 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.23 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.2 -41.73 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.43 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -44.68 96.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.797 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.68 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.5 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.526 ' O ' HG13 ' C' ' 647' ' ' ILE . 85.3 mt-10 -61.1 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.195 179.259 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.644 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 27.1 tt0 -66.29 -33.03 74.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.651 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 13.6 mmtt -64.01 -45.12 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -62.96 -48.43 78.9 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.526 HG13 ' O ' ' C' ' 643' ' ' GLU . 2.1 mt -62.22 -38.78 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.1 0.476 . . . . 0.0 111.212 -179.638 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.486 HH11 ' HG3' ' B' ' 644' ' ' GLU . 5.6 ttp-105 -64.24 -42.37 96.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.061 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.98 -39.33 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -41.11 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.646 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.465 ' HA ' HD12 ' C' ' 651' ' ' LEU . 12.7 tp -63.33 -33.41 75.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.448 ' HB3' ' HE1' ' C' ' 653' ' ' MET . 0.3 OUTLIER -62.03 -44.51 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.175 -179.832 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' C' C ' 653' ' ' MET . . . . . 0.448 ' HE1' ' HB3' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -65.96 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.306 -179.71 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.61 ' O ' HG13 ' C' ' 658' ' ' ILE . 6.0 tt0 -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.26 -46.78 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -56.23 -39.8 73.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.61 HG13 ' O ' ' C' ' 654' ' ' GLU . 8.6 mt -65.87 -45.87 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.664 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.536 ' HB2' HD12 ' B' ' 658' ' ' ILE . 4.8 tttt -62.15 -44.51 96.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -63.93 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.87 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.368 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.488 HD13 ' HG ' ' B' ' 662' ' ' LEU . 1.1 mt -76.73 -31.25 57.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.48 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' C' ' 659' ' ' LYS . 7.3 mm100 -85.96 -28.69 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t -70.39 -49.57 47.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.011 -179.987 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 609' ' ' VAL . 3.0 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.725 0.298 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 1.4 tt0 -70.79 -38.15 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.74 -34.53 78.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.25 -49.15 46.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.435 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 605' ' ' SER . 25.9 t -63.67 -48.17 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.612 -179.518 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 0.1 OUTLIER -53.21 -53.6 48.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 111.7 179.636 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.403 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 17.5 mt-10 -66.04 -25.89 67.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.452 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.419 HD22 ' HB2' ' B' ' 613' ' ' ARG . 0.1 OUTLIER -66.57 -50.34 63.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.767 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.406 ' HB2' HD22 ' C' ' 612' ' ' LEU . 4.5 tpp180 -65.26 -40.72 94.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.002 -179.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 32.2 p -63.56 -27.75 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.662 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.423 ' HB3' HG13 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -70.88 -51.14 28.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 -179.482 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' C' ' 615' ' ' GLN . 1.9 t -63.96 -39.43 85.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -60.07 -44.98 94.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.254 -179.743 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.516 ' O ' HD13 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -65.76 -42.12 91.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.73 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 623' ' ' ILE . 7.5 tp -65.28 -34.7 78.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.427 ' HD2' HD12 ' C' ' 619' ' ' LEU . 2.2 tpt180 -60.56 -45.91 92.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 4.1 m -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 619' ' ' LEU . 5.8 mt -69.04 -34.68 65.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.589 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.1 mp -61.24 -45.32 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.46 -40.36 93.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.221 -179.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 625' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -66.27 -39.07 89.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.975 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.15 -41.6 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 7.8 ttmm -64.22 -42.52 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.02 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.93 -27.52 60.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 1.9 tt0 -67.19 -47.95 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 0.1 OUTLIER -63.65 -41.23 98.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.024 -179.786 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.6 ' O ' HG13 ' A' ' 634' ' ' ILE . 18.3 mttt -59.81 -41.92 92.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -68.01 -42.88 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 93.2 mt-10 -61.54 -48.63 80.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.86 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.6 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.0 OUTLIER -65.83 -33.97 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.079 179.253 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.475 ' HA ' HD13 ' A' ' 638' ' ' LEU . 40.2 mttt -58.77 -48.8 80.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.472 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.49 91.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.985 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' C' ' 637' ' ' LEU . 6.2 mt -63.53 -45.85 88.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.485 ' HA ' HD21 ' C' ' 637' ' ' LEU . 2.6 mt -60.81 -45.81 92.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -35.77 78.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.461 ' HB3' ' HZ2' ' B' ' 645' ' ' LYS . 49.6 mt-10 -66.2 -43.52 86.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.959 0.409 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.6 OUTLIER -65.87 -36.0 82.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.819 179.582 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -44.94 83.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -39.99 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 179.231 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -65.67 -35.46 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.854 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' C' ' 640' ' ' GLU . 19.9 mttt -65.32 -36.81 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.69 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 644' ' ' GLU . 1.1 tt -58.19 -37.76 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.627 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -65.14 -43.76 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.022 -179.773 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 653' ' ' MET . 2.9 mt -58.86 -41.36 86.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.829 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -39.45 93.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.694 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.657 HD23 ' HG2' ' B' ' 652' ' ' GLN . 45.5 tp -67.09 -39.14 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.759 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.662 ' HG2' HD23 ' C' ' 651' ' ' LEU . 2.9 mm-40 -57.54 -43.48 84.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 653' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 649' ' ' LEU . 18.9 mmt -66.56 -41.21 88.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.314 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 658' ' ' ILE . 34.7 tt0 -61.34 -40.77 95.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.503 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 651' ' ' LEU . 42.9 t -65.32 -42.02 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.64 94.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.51 98.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.754 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.659 HG13 ' O ' ' A' ' 654' ' ' GLU . 10.3 mt -71.42 -35.35 56.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.643 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -50.15 68.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -69.01 -32.9 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.62 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.322 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.436 HD13 HG22 ' C' ' 658' ' ' ILE . 1.3 tt -63.62 -33.44 75.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.558 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.3 -29.18 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.956 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.403 ' O ' HG22 ' B' ' 609' ' ' VAL . 3.0 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.787 0.327 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 1.4 tt0 -70.73 -38.25 73.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.2 -49.26 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.439 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 605' ' ' SER . 25.8 t -63.59 -48.22 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 0.1 OUTLIER -53.12 -53.61 47.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.158 0.504 . . . . 0.0 111.781 179.616 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.409 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 17.5 mt-10 -66.08 -25.89 67.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.43 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' C' ' 613' ' ' ARG . 0.1 OUTLIER -66.56 -50.37 63.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.132 -179.775 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.419 ' HB2' HD22 ' A' ' 612' ' ' LEU . 4.5 tpp180 -65.31 -40.61 94.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 -179.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 614' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 32.1 p -63.61 -27.76 69.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.663 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.433 ' HB3' HG13 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -70.91 -51.11 28.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 111.098 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.423 HG13 ' HB3' ' A' ' 615' ' ' GLN . 1.9 t -63.93 -39.51 85.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -44.97 94.32 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.327 -179.702 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.53 ' O ' HD13 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -65.72 -42.15 91.4 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.639 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.648 ' O ' HD12 ' B' ' 623' ' ' ILE . 7.5 tp -65.31 -34.66 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.01 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.422 ' HD2' HD12 ' A' ' 619' ' ' LEU . 2.2 tpt180 -60.58 -45.88 92.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.1 m -60.02 -36.57 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' B' ' 619' ' ' LEU . 5.7 mt -69.04 -34.74 65.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.587 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.648 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.1 mp -61.24 -45.31 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.48 -40.28 92.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.222 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 625' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.013 179.782 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 7.4 ttm -68.25 -41.6 80.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 7.8 ttmm -64.18 -42.51 96.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.85 -27.59 60.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 1.9 tt0 -67.17 -48.01 69.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 0.1 OUTLIER -63.58 -41.25 98.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.752 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.597 ' O ' HG13 ' B' ' 634' ' ' ILE . 18.3 mttt -59.85 -41.93 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -67.96 -43.01 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.956 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 93.2 mt-10 -61.45 -48.66 80.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 111.872 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.597 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.0 OUTLIER -65.79 -33.94 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' B' ' 638' ' ' LEU . 39.9 mttt -58.95 -48.74 80.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.449 -179.491 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -38.62 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 637' ' ' LEU . 6.2 mt -63.52 -45.86 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.477 ' HA ' HD21 ' A' ' 637' ' ' LEU . 2.6 mt -60.84 -45.82 92.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.454 ' HB3' ' HZ2' ' C' ' 645' ' ' LYS . 49.3 mt-10 -66.17 -43.52 86.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.839 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.79 -36.11 82.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.791 179.563 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -45.01 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.529 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -40.04 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.227 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.481 ' O ' HG23 ' B' ' 647' ' ' ILE . 0.2 OUTLIER -65.49 -35.63 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.896 179.856 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.461 ' HZ2' ' HB3' ' A' ' 640' ' ' GLU . 19.9 mttt -65.26 -36.8 85.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.727 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -55.72 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 -179.619 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.481 HG23 ' O ' ' B' ' 644' ' ' GLU . 1.1 tt -58.24 -37.68 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.197 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.611 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -65.13 -43.77 90.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.055 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . 0.522 ' O ' ' HG2' ' B' ' 653' ' ' MET . 2.9 mt -58.89 -41.27 86.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.4 93.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.651 HD23 ' HG2' ' C' ' 652' ' ' GLN . 45.5 tp -67.05 -39.2 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.657 ' HG2' HD23 ' A' ' 651' ' ' LEU . 2.9 mm-40 -57.51 -43.46 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 653' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' B' ' 649' ' ' LEU . 18.9 mmt -66.6 -41.2 88.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.323 -179.716 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.66 ' O ' HG13 ' B' ' 658' ' ' ILE . 34.7 tt0 -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.536 179.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 651' ' ' LEU . 43.0 t -65.35 -42.0 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.69 94.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.824 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -42.46 98.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 654' ' ' GLU . 10.3 mt -71.37 -35.39 57.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.623 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -50.17 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.02 -32.85 72.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.966 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.59 81.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.317 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.425 HD13 HG22 ' A' ' 658' ' ' ILE . 1.3 tt -63.69 -33.36 75.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.41 -29.07 34.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.739 0.304 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 1.4 tt0 -70.67 -38.32 73.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.56 78.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.15 46.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.489 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.63 -48.23 87.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 0.1 OUTLIER -53.1 -53.61 47.88 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 111.803 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.408 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 17.4 mt-10 -66.12 -25.88 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.388 179.441 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 613' ' ' ARG . 0.1 OUTLIER -66.53 -50.45 63.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 -179.817 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.41 ' HB2' HD22 ' B' ' 612' ' ' LEU . 4.4 tpp180 -65.25 -40.62 94.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.056 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 614' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 32.0 p -63.67 -27.67 69.38 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.664 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.424 ' HB3' HG13 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -70.95 -51.12 27.7 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 111.166 -179.523 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' B' ' 615' ' ' GLN . 1.9 t -63.92 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -45.0 94.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.327 -179.729 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.517 ' O ' HD13 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -65.71 -42.19 91.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 179.668 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.654 ' O ' HD12 ' C' ' 623' ' ' ILE . 7.4 tp -65.34 -34.6 78.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.437 ' HD2' HD12 ' B' ' 619' ' ' LEU . 2.2 tpt180 -60.59 -45.92 92.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 4.1 m -60.01 -36.61 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' C' ' 619' ' ' LEU . 5.7 mt -69.03 -34.69 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.63 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.654 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.1 mp -61.18 -45.29 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.282 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.49 -40.32 92.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 625' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -66.29 -39.06 89.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.034 179.814 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.23 -41.51 81.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.983 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 7.9 ttmm -64.33 -42.49 96.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.83 -27.57 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 1.9 tt0 -67.28 -47.92 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 0.1 OUTLIER -63.67 -41.18 98.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.002 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.605 ' O ' HG13 ' C' ' 634' ' ' ILE . 18.3 mttt -59.83 -41.93 92.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -68.02 -42.93 79.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.945 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 93.2 mt-10 -61.46 -48.68 80.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.605 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.0 OUTLIER -65.81 -33.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.055 179.28 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' C' ' 638' ' ' LEU . 40.1 mttt -58.83 -48.8 80.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.448 -179.514 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -38.64 91.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 637' ' ' LEU . 6.2 mt -63.56 -45.85 88.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.699 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.475 ' HA ' HD21 ' B' ' 637' ' ' LEU . 2.6 mt -60.79 -45.79 93.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -35.75 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.76 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.458 ' HB3' ' HZ2' ' A' ' 645' ' ' LYS . 49.2 mt-10 -66.29 -43.42 86.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.565 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.758 179.571 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -45.04 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -40.01 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.232 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.479 ' O ' HG23 ' C' ' 647' ' ' ILE . 0.2 OUTLIER -65.56 -35.57 81.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.894 179.853 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.454 ' HZ2' ' HB3' ' B' ' 640' ' ' GLU . 19.9 mttt -65.29 -36.83 85.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.72 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.479 HG23 ' O ' ' C' ' 644' ' ' GLU . 1.1 tt -58.22 -37.71 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.037 0.446 . . . . 0.0 111.202 -179.65 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.633 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -65.12 -43.76 90.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.021 -179.826 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' C' ' 653' ' ' MET . 2.9 mt -58.9 -41.29 86.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.42 93.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.662 HD23 ' HG2' ' A' ' 652' ' ' GLN . 45.6 tp -67.03 -39.2 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.745 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.651 ' HG2' HD23 ' B' ' 651' ' ' LEU . 3.0 mm-40 -57.61 -43.37 84.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 653' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' C' ' 649' ' ' LEU . 19.0 mmt -66.64 -41.19 88.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.665 ' O ' HG13 ' C' ' 658' ' ' ILE . 34.8 tt0 -61.3 -40.83 95.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.548 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.461 HG22 ' O ' ' C' ' 651' ' ' LEU . 43.1 t -65.34 -41.96 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -39.66 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -42.47 98.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.735 179.595 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.665 HG13 ' O ' ' C' ' 654' ' ' GLU . 10.3 mt -71.39 -35.27 56.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.721 -179.703 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -50.16 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' C' ' 660' ' ' LYS . 18.6 mtmt -69.02 -32.87 72.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.51 -40.53 80.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.554 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.3 tt -63.75 -33.37 75.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.33 -29.17 34.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p -77.3 -17.75 58.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.554 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.405 ' O ' HG21 ' A' ' 609' ' ' VAL . 2.1 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.708 0.29 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.37 84.6 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.23 77.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.53 83.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.471 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.406 ' H ' HG21 ' A' ' 609' ' ' VAL . 2.4 t -67.52 -29.83 46.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.07 -41.04 82.53 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.17 0.509 . . . . 0.0 111.74 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.91 99.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' B' ' 613' ' ' ARG . 10.0 mt -66.03 -38.53 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.078 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.786 ' HA ' HD23 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -56.08 -47.01 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.003 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.22 -41.51 98.46 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -69.64 -36.01 75.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.937 0.399 . . . . 0.0 111.15 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.39 -46.44 86.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.468 ' HD2' ' O ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.05 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.347 -179.752 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -35.82 81.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.88 93.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.782 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.563 ' HA ' HD12 ' A' ' 623' ' ' ILE . 11.9 ttm180 -65.79 -36.25 83.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.31 -30.25 70.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 626' ' ' MET . 6.0 mt -69.85 -44.29 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.068 0.461 . . . . 0.0 111.626 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.8 mt -63.74 -35.57 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.243 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -42.83 78.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 -179.385 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.6 -40.63 76.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.983 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.536 ' SD ' HG23 ' B' ' 623' ' ' ILE . 9.5 mtt -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.419 ' HD3' ' HE2' ' A' ' 631' ' ' LYS . 0.9 OUTLIER -61.64 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -39.04 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.008 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.65 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.46 ' O ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -66.33 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.018 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.419 ' HE2' ' HD3' ' A' ' 627' ' ' LYS . 8.6 mmtt -66.37 -46.03 78.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -37.76 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.011 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.49 ' HB3' HG22 ' B' ' 634' ' ' ILE . 2.6 mm-40 -64.98 -46.98 79.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.998 0.428 . . . . 0.0 111.848 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.479 HG22 ' HB3' ' C' ' 633' ' ' GLU . 1.7 mt -63.07 -37.98 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.072 179.234 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.6 OUTLIER -63.99 -41.87 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.477 -179.551 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -35.17 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.947 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' B' ' 638' ' ' LEU . 4.6 mt -65.69 -44.67 85.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.639 HD23 ' HG ' ' C' ' 637' ' ' LEU . 4.0 mt -61.72 -39.16 90.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -39.87 90.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.77 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.4 ' OE1' HD12 ' B' ' 641' ' ' LEU . 36.1 tt0 -67.94 -39.62 83.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.625 ' HA ' HD23 ' B' ' 641' ' ' LEU . 0.4 OUTLIER -64.46 -40.67 96.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.759 179.58 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.05 -32.44 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.501 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -64.62 -47.63 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.231 179.231 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.444 ' HA ' HD11 ' A' ' 647' ' ' ILE . 65.2 tt0 -65.52 -34.74 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.95 -40.16 88.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -40.27 89.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 643' ' ' GLU . 3.8 mt -70.63 -38.35 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.01 0.434 . . . . 0.0 111.202 -179.696 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 1.0 OUTLIER -68.12 -40.78 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.991 -179.832 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -43.81 91.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -67.08 -34.27 77.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.623 ' HG ' ' HG3' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -60.34 -46.94 88.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.612 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 2.3 tt0 -59.21 -40.42 85.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.198 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.53 -31.13 71.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 111.344 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 658' ' ' ILE . 22.6 tt0 -67.88 -48.7 65.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.539 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.11 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.17 -39.16 89.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.96 55.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 654' ' ' GLU . 2.2 tt -64.2 -28.31 44.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.671 -179.658 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -70.7 -44.45 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.041 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.56 80.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.28 59.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.422 HD21 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.93 -31.18 71.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.504 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -28.53 44.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 179.974 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.416 ' O ' HG21 ' B' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -37.3 84.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.18 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.398 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.416 HG21 ' O ' ' B' ' 605' ' ' SER . 2.4 t -67.51 -29.87 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 -179.561 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.06 -40.96 82.68 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.206 0.527 . . . . 0.0 111.836 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.89 99.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.447 179.4 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' C' ' 613' ' ' ARG . 10.0 mt -65.92 -38.56 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.778 ' HA ' HD23 ' A' ' 612' ' ' LEU . 0.1 OUTLIER -56.12 -46.95 78.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.748 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.604 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -69.63 -36.12 75.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 111.086 -179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 68.6 t -66.31 -46.48 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.0 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.362 -179.768 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -35.77 81.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.496 ' O ' HG13 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.89 93.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 -179.805 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' B' ' 623' ' ' ILE . 11.9 ttm180 -65.84 -36.21 82.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.35 -30.3 70.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.62 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' B' ' 626' ' ' MET . 6.1 mt -69.83 -44.3 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.635 -179.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.9 mt -63.75 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.85 79.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.52 -40.68 76.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.03 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.54 ' SD ' HG23 ' C' ' 623' ' ' ILE . 9.5 mtt -62.97 -40.04 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.413 ' HD3' ' HE2' ' B' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.75 98.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.044 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.86 -39.05 90.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.075 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.68 79.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.47 ' O ' HD13 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -66.38 -32.13 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.717 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.413 ' HE2' ' HD3' ' B' ' 627' ' ' LYS . 8.5 mmtt -66.48 -46.0 77.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -37.84 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.032 179.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.503 ' HB3' HG22 ' C' ' 634' ' ' ILE . 2.6 mm-40 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.063 0.459 . . . . 0.0 111.885 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.49 HG22 ' HB3' ' A' ' 633' ' ' GLU . 1.7 mt -63.1 -37.98 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.03 179.281 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.6 OUTLIER -64.0 -41.85 97.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.462 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -35.14 80.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' C' ' 638' ' ' LEU . 4.6 mt -65.73 -44.66 85.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.649 HD23 ' HG ' ' A' ' 637' ' ' LEU . 4.1 mt -61.68 -39.31 90.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.082 -179.722 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -39.94 90.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.405 ' OE1' HD12 ' C' ' 641' ' ' LEU . 36.0 tt0 -67.91 -39.66 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.639 ' HA ' HD23 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.38 -40.76 96.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.778 179.524 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.94 -32.54 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.524 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.463 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.1 OUTLIER -64.56 -47.68 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.252 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' B' ' 647' ' ' ILE . 65.2 tt0 -65.48 -34.89 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.81 -40.16 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.4 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 643' ' ' GLU . 3.8 mt -70.56 -38.42 73.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 111.232 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.74 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.038 -179.82 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -43.92 91.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.764 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.89 -34.38 77.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.688 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.627 ' HG ' ' HG3' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.01 87.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.708 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.623 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 2.3 tt0 -59.1 -40.45 85.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.199 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.7 -30.93 71.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.338 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.557 ' O ' HG22 ' B' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.69 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.08 -35.56 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 0.0 111.171 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.22 -39.06 89.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -52.99 55.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.746 179.547 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.557 HG22 ' O ' ' B' ' 654' ' ' GLU . 2.2 tt -64.16 -28.32 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.694 -179.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.461 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -70.64 -44.44 67.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.026 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -35.56 80.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.7 -37.28 59.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.306 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.446 HD21 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -66.1 -31.09 71.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 179.62 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -28.51 44.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.997 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.413 ' O ' HG21 ' C' ' 609' ' ' VAL . 2.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.34 84.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.09 77.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.58 83.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.449 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.413 HG21 ' O ' ' C' ' 605' ' ' SER . 2.4 t -67.57 -29.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.1 -40.99 82.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 111.717 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.413 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 613' ' ' ARG . 10.0 mt -65.93 -38.54 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.754 ' HA ' HD23 ' B' ' 612' ' ' LEU . 0.1 OUTLIER -56.15 -46.89 79.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.019 -179.742 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.3 -41.47 98.53 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.624 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.404 ' HG3' ' NH1' ' A' ' 620' ' ' ARG . 31.5 tt0 -69.67 -36.04 75.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.115 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 68.5 t -66.31 -46.45 87.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.255 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.479 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -63.35 -45.23 92.17 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.334 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.504 ' O ' HG13 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -59.66 -43.93 93.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 -179.878 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.542 ' HA ' HD12 ' C' ' 623' ' ' ILE . 11.9 ttm180 -65.86 -36.25 82.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.36 -30.22 69.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.617 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' C' ' 626' ' ' MET . 6.0 mt -69.88 -44.25 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.662 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 623' ' ' ILE . 3.9 mt -63.74 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.245 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -42.85 79.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.49 -40.72 76.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.003 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.536 ' SD ' HG23 ' A' ' 623' ' ' ILE . 9.5 mtt -62.94 -40.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.42 ' HD3' ' HE2' ' C' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.7 98.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -39.02 90.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -63.92 -47.68 79.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.472 ' O ' HD13 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -66.35 -32.15 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.42 ' HE2' ' HD3' ' C' ' 627' ' ' LYS . 8.6 mmtt -66.46 -46.0 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.86 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.956 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG22 ' A' ' 634' ' ' ILE . 2.6 mm-40 -64.92 -47.03 79.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.083 0.468 . . . . 0.0 111.907 -178.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' B' ' 633' ' ' GLU . 1.7 mt -62.97 -38.0 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.106 179.193 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.479 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.6 OUTLIER -64.04 -41.84 97.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.43 -179.528 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -35.22 80.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.639 ' HG ' HD23 ' A' ' 638' ' ' LEU . 4.7 mt -65.65 -44.75 85.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.789 179.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' B' ' 637' ' ' LEU . 4.0 mt -61.59 -39.3 90.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.95 91.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.4 ' OE1' HD12 ' A' ' 641' ' ' LEU . 36.1 tt0 -67.95 -39.63 83.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' B' ' 641' ' ' LEU . 0.4 OUTLIER -64.4 -40.68 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 179.491 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.481 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.457 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.1 OUTLIER -64.61 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.205 179.276 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.433 ' HA ' HD11 ' C' ' 647' ' ' ILE . 65.2 tt0 -65.39 -34.95 79.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.74 -40.26 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.33 89.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.457 HG13 ' O ' ' C' ' 643' ' ' GLU . 3.8 mt -70.63 -38.38 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.072 0.463 . . . . 0.0 111.21 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.524 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.78 82.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.84 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -43.9 91.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.94 -34.28 77.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.612 ' HG ' ' HG3' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.04 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.627 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 2.3 tt0 -59.16 -40.42 85.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.19 -179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.62 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 111.343 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.55 ' O ' HG22 ' C' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.7 65.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.522 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.08 -35.58 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.14 -39.1 89.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.98 55.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.497 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.55 HG22 ' O ' ' C' ' 654' ' ' GLU . 2.2 tt -64.18 -28.33 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.674 -179.713 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -70.66 -44.42 67.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.0 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -35.57 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.65 -37.23 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.384 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.432 HD21 HG13 ' B' ' 658' ' ' ILE . 0.2 OUTLIER -66.06 -31.18 71.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.521 179.551 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -28.5 44.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m -70.46 -39.2 74.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.018 -179.949 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 609' ' ' VAL . 11.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.757 0.313 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -68.8 -38.87 80.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.794 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.437 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 605' ' ' SER . 3.5 t -66.34 -38.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 -179.536 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.5 -48.26 82.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.768 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.411 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 51.4 mt-10 -70.61 -28.31 64.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.455 179.357 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -49.89 68.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 613' ' ' ARG . 7.7 tpp85 -64.51 -37.87 89.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 21.5 p -71.56 -27.6 63.27 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.683 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -48.86 31.9 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 111.138 -179.457 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 1.4 t -68.69 -36.7 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.472 HH22 ' HG2' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -63.61 -49.55 72.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.29 -179.709 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -43.76 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.968 179.705 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.486 HD22 HD12 ' B' ' 623' ' ' ILE . 19.6 tp -65.88 -36.78 84.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.472 ' HG2' HH22 ' A' ' 617' ' ' ARG . 0.0 OUTLIER -56.47 -42.62 78.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -38.15 90.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.559 179.526 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.51 HG23 HG22 ' B' ' 623' ' ' ILE . 24.7 mt -66.25 -36.71 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.591 -179.641 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.625 HD13 HD13 ' B' ' 623' ' ' ILE . 0.9 OUTLIER -62.76 -42.59 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -47.66 73.14 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.387 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.06 -40.29 97.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.539 ' HG2' ' NE2' ' B' ' 630' ' ' GLN . 5.7 ttm -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 15.0 ttmm -62.16 -49.13 77.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.084 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -29.2 68.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.008 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.4 OUTLIER -64.26 -48.91 73.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 3.1 pt20 -66.56 -31.96 73.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.577 ' O ' HG13 ' A' ' 634' ' ' ILE . 24.6 mttm -67.42 -41.39 84.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.48 -42.22 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.936 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 80.0 mt-10 -60.93 -44.9 96.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.883 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.5 pp -67.95 -33.86 63.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.073 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.75 -43.37 84.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.398 -179.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -44.83 76.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.594 ' HB3' HD22 ' C' ' 637' ' ' LEU . 6.6 mt -57.88 -42.15 84.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.597 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.507 ' HG ' HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -63.55 -42.32 98.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -179.749 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -34.52 76.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -72.19 -36.5 69.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.83 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -38.7 72.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.757 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . 0.457 ' O ' ' HD3' ' A' ' 646' ' ' LYS . 15.6 m-20 -63.57 -47.14 82.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.286 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -36.52 84.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.46 -33.39 62.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 650' ' ' ARG . 0.3 OUTLIER -63.34 -45.69 90.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -179.664 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 2.0 tt -72.94 -38.52 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.59 -42.19 99.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.059 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.789 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 646' ' ' LYS . 1.8 mmp_? -60.45 -37.77 82.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' B' ' 652' ' ' GLN . 22.6 tp -66.63 -39.4 88.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.667 ' HA ' HD11 ' C' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.84 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.127 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -44.4 89.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.323 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.95 -44.68 91.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.551 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.545 HG22 HD11 ' C' ' 651' ' ' LEU . 17.8 t -60.93 -40.72 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -34.37 77.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -44.39 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.798 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.614 HG21 HG23 ' C' ' 658' ' ' ILE . 6.6 mt -65.81 -38.06 81.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.742 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.24 83.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -34.55 76.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' B' ' 662' ' ' LEU . . . -70.15 -36.24 74.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.523 ' HG ' ' HZ2' ' C' ' 665' ' ' LYS . 0.6 OUTLIER -74.0 -31.09 62.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.531 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 663' ' ' GLN . 0.0 OUTLIER -76.65 -37.79 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.994 -180.0 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.567 ' O ' HG23 ' B' ' 609' ' ' VAL . 11.5 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.87 -38.77 79.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.78 88.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.94 75.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.434 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.567 HG23 ' O ' ' B' ' 605' ' ' SER . 3.5 t -66.42 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.594 -179.553 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.3 -48.44 81.6 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.193 0.52 . . . . 0.0 111.791 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.404 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 51.4 mt-10 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.436 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -49.94 68.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.081 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' B' ' 613' ' ' ARG . 7.7 tpp85 -64.49 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.072 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 614' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 21.5 p -71.58 -27.62 63.26 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.642 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -48.83 32.12 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.014 0.435 . . . . 0.0 111.157 -179.4 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 1.4 t -68.66 -36.79 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.471 HH22 ' HG2' ' B' ' 620' ' ' ARG . 0.0 OUTLIER -63.49 -49.62 72.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.38 -43.76 88.63 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.998 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.49 HD22 HD12 ' C' ' 623' ' ' ILE . 19.6 tp -65.8 -36.74 84.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.471 ' HG2' HH22 ' B' ' 617' ' ' ARG . 0.0 OUTLIER -56.49 -42.71 78.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -38.16 90.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.652 179.556 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.508 HG23 HG22 ' C' ' 623' ' ' ILE . 25.2 mt -66.27 -36.65 77.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.625 HD13 HD13 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -62.76 -42.6 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -47.61 73.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.398 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -40.27 97.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.532 ' HG2' ' NE2' ' C' ' 630' ' ' GLN . 5.7 ttm -67.91 -40.89 83.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 15.0 ttmm -62.04 -49.27 76.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -29.07 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.4 OUTLIER -64.33 -48.89 73.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.788 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 3.1 pt20 -66.49 -32.0 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.578 ' O ' HG13 ' B' ' 634' ' ' ILE . 24.6 mttm -67.48 -41.29 84.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.5 -42.26 65.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.941 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 80.1 mt-10 -60.85 -44.9 96.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 111.882 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.578 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.5 pp -68.01 -33.85 63.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.072 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.8 -43.32 84.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.93 76.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.586 ' HB3' HD22 ' A' ' 637' ' ' LEU . 6.6 mt -57.9 -42.17 84.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.736 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.491 ' HG ' HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -63.45 -42.3 98.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.991 0.425 . . . . 0.0 111.221 -179.782 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -34.53 76.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.013 0.435 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -38.72 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.78 179.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' B' ' 646' ' ' LYS . 15.6 m-20 -63.51 -47.17 82.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.471 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.23 77.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.213 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -36.51 84.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.44 -33.38 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 650' ' ' ARG . 0.3 OUTLIER -63.39 -45.64 90.1 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 -179.637 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.98 -38.49 56.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 111.174 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.049 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.6 -42.78 99.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.77 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 646' ' ' LYS . 1.8 mmp_? -60.38 -37.92 82.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' C' ' 652' ' ' GLN . 22.6 tp -66.51 -39.38 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.659 ' HA ' HD11 ' A' ' 651' ' ' LEU . 3.5 mt-30 -55.88 -41.79 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 -179.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.323 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -59.03 -44.65 91.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.536 HG22 HD11 ' A' ' 651' ' ' LEU . 18.0 t -60.93 -40.73 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -34.32 77.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.36 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 179.559 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.606 HG21 HG23 ' A' ' 658' ' ' ILE . 6.6 mt -65.79 -38.07 81.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.65 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -44.16 83.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -34.58 76.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' C' ' 662' ' ' LEU . . . -70.08 -36.21 74.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.355 -179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 661' ' ' ALA . 0.6 OUTLIER -74.03 -31.15 62.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 179.549 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' B' ' 663' ' ' GLN . 0.0 OUTLIER -76.61 -37.92 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.948 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.554 ' O ' HG23 ' C' ' 609' ' ' VAL . 11.2 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.696 0.284 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.83 -38.82 80.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.88 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.05 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.554 HG23 ' O ' ' C' ' 605' ' ' SER . 3.5 t -66.41 -38.85 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.635 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.34 -48.45 81.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.166 0.508 . . . . 0.0 111.771 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.407 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 51.4 mt-10 -70.56 -28.21 64.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.524 179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -49.88 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.087 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' C' ' 613' ' ' ARG . 7.7 tpp85 -64.49 -37.83 88.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.034 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 614' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 21.4 p -71.69 -27.49 63.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.695 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -48.96 31.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.97 0.414 . . . . 0.0 111.141 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 1.4 t -68.6 -36.74 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.227 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.464 HH22 ' HG2' ' C' ' 620' ' ' ARG . 0.0 OUTLIER -63.59 -49.51 73.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.327 -179.727 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -43.73 88.68 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.002 179.653 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.492 HD22 HD12 ' A' ' 623' ' ' ILE . 19.6 tp -65.88 -36.7 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.464 ' HG2' HH22 ' C' ' 617' ' ' ARG . 0.0 OUTLIER -56.52 -42.67 78.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.893 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -38.17 90.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.475 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.488 HG23 HG22 ' A' ' 623' ' ' ILE . 25.0 mt -66.28 -36.74 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.581 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.624 HD13 HD13 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -62.68 -42.63 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -47.73 73.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.269 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.03 -40.37 97.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.998 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.526 ' HG2' ' NE2' ' A' ' 630' ' ' GLN . 5.6 ttm -67.82 -40.83 83.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 15.1 ttmm -62.09 -49.27 76.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.41 -29.23 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.047 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.4 OUTLIER -64.19 -48.88 74.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 3.1 pt20 -66.54 -31.9 72.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.014 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' C' ' 634' ' ' ILE . 24.5 mttm -67.47 -41.4 84.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.41 -42.18 65.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.02 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 80.1 mt-10 -60.98 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 111.861 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.5 pp -68.05 -33.76 62.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.112 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -66.82 -43.32 84.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -44.82 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 637' ' ' LEU . 6.6 mt -58.03 -42.08 84.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.502 ' HG ' HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -63.55 -42.25 98.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -179.827 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -34.58 76.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.855 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -72.12 -36.57 69.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.993 0.425 . . . . 0.0 110.839 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -38.73 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' C' ' 646' ' ' LYS . 15.4 m-20 -63.55 -47.09 82.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.476 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -34.19 77.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.283 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.912 179.799 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.765 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' C' ' 650' ' ' ARG . 0.3 OUTLIER -63.4 -45.64 90.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.242 -179.599 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.89 -38.47 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.092 0.472 . . . . 0.0 111.233 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.64 -42.21 99.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.59 -42.72 99.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' C' ' 646' ' ' LYS . 1.8 mmp_? -60.46 -37.85 82.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.667 HD11 ' HA ' ' A' ' 652' ' ' GLN . 22.4 tp -66.57 -39.37 88.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.664 ' HA ' HD11 ' B' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.83 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.121 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -44.36 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.327 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.98 -44.69 91.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.499 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.526 HG22 HD11 ' B' ' 651' ' ' LEU . 17.7 t -60.97 -40.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.74 -44.25 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.614 HG23 HG21 ' A' ' 658' ' ' ILE . 6.7 mt -65.94 -38.01 81.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.661 -179.714 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.19 83.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -34.58 76.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 662' ' ' LEU . . . -70.02 -36.23 74.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' B' ' 661' ' ' ALA . 0.6 OUTLIER -74.13 -31.08 62.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.617 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . 0.402 ' HA ' HE21 ' C' ' 663' ' ' GLN . 0.0 OUTLIER -76.67 -37.82 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p -71.78 -43.46 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . 0.699 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.57 -37.31 82.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.74 83.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.49 -32.66 72.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.442 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.88 -40.12 84.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.65 -39.63 74.05 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.186 0.517 . . . . 0.0 111.761 179.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 615' ' ' GLN . 12.5 mt-10 -63.35 -42.63 98.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.492 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.694 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.1 mm? -65.33 -36.55 84.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.751 0.31 . . . . 0.0 111.056 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.687 ' HG2' HD21 ' C' ' 612' ' ' LEU . 10.4 mtt180 -59.29 -45.35 91.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 -179.801 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 611' ' ' GLU . 1.3 t -67.59 -28.15 67.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.656 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 611' ' ' GLU . 45.2 mm-40 -68.51 -48.15 65.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.155 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 613' ' ' ARG . 2.5 m -65.34 -41.91 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.41 -45.49 94.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.287 -179.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.55 -30.92 71.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 615' ' ' GLN . 28.2 mt -70.1 -39.85 75.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.997 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.639 HH11 ' HB2' ' A' ' 620' ' ' ARG . 0.1 OUTLIER -60.07 -44.99 94.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.822 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.9 p -67.69 -34.49 77.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.534 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.594 HG21 ' SD ' ' A' ' 626' ' ' MET . 1.4 mt -62.42 -46.86 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.472 HG12 HG12 ' C' ' 623' ' ' ILE . 3.1 mt -67.17 -41.8 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.296 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.33 -49.33 77.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 44.9 p -63.8 -49.9 71.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.02 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.594 ' SD ' HG21 ' A' ' 622' ' ' ILE . 3.9 mtt -59.2 -33.13 70.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.517 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 1.5 tmtm? -73.11 -39.21 65.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -47.58 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.67 -47.31 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.567 ' HZ2' ' HG3' ' C' ' 633' ' ' GLU . 0.0 OUTLIER -61.28 -39.81 91.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.903 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.04 -42.58 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.956 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' B' ' 634' ' ' ILE . 3.9 mm-40 -61.57 -37.97 85.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 111.904 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' C' ' 633' ' ' GLU . 2.3 mt -69.85 -41.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.045 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -43.15 97.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -35.01 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.2 OUTLIER -64.42 -46.57 82.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 179.697 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.594 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 1.1 mt -60.22 -41.95 94.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -41.16 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.76 -41.71 99.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.582 HD12 HD12 ' C' ' 641' ' ' LEU . 0.1 OUTLIER -62.36 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.768 179.615 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -36.83 75.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.489 -179.345 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.543 ' O ' HD11 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -66.87 -46.38 75.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.28 179.248 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.577 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 2.4 tt0 -64.74 -34.69 78.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.814 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.568 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.11 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.761 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.43 -49.44 75.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.543 HD11 ' O ' ' A' ' 643' ' ' GLU . 2.8 mt -66.25 -38.41 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 120.998 0.428 . . . . 0.0 111.198 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.7 ttp-105 -63.58 -39.95 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.69 -38.53 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.759 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -46.38 77.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.685 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' B' ' 652' ' ' GLN . 18.0 tp -59.79 -35.68 75.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.759 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.4 OUTLIER -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -46.96 78.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.631 ' O ' HG13 ' A' ' 658' ' ' ILE . 1.0 OUTLIER -62.39 -38.42 89.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.565 179.617 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.604 HG12 HD11 ' C' ' 651' ' ' LEU . 69.7 t -60.82 -42.87 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -179.566 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.72 -40.16 96.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.35 -36.42 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 654' ' ' GLU . 56.1 mt -68.93 -45.23 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.647 -179.673 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.501 ' HG3' HG12 ' C' ' 658' ' ' ILE . 9.4 tttm -64.97 -41.67 95.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 111.071 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.39 88.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.0 76.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.367 -179.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.48 -36.88 76.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 38.0 mt-30 -74.57 -34.77 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.709 0.29 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.47 -37.33 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.25 -42.75 83.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.59 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.453 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 81.6 t -60.94 -40.12 84.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.607 -179.598 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.68 -39.65 74.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.708 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' B' ' 615' ' ' GLN . 12.6 mt-10 -63.34 -42.69 98.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.671 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -65.21 -36.57 84.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.694 ' HG2' HD21 ' A' ' 612' ' ' LEU . 10.4 mtt180 -59.37 -45.3 91.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 614' ' ' THR . . . . . 0.48 HG22 ' O ' ' B' ' 611' ' ' GLU . 1.3 t -67.65 -28.13 67.46 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.6 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' B' ' 611' ' ' GLU . 45.2 mm-40 -68.45 -48.24 65.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 111.16 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.485 HG21 ' O ' ' B' ' 613' ' ' ARG . 2.5 m -65.26 -41.94 92.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.41 -45.4 94.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.286 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.58 -30.9 71.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.014 179.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 615' ' ' GLN . 28.3 mt -70.14 -39.84 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.644 ' HB2' HH11 ' B' ' 620' ' ' ARG . 0.1 OUTLIER -60.19 -44.93 94.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 2.9 p -67.72 -34.47 76.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.587 HG21 ' SD ' ' B' ' 626' ' ' MET . 1.4 mt -62.46 -46.8 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.989 0.423 . . . . 0.0 111.574 -179.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.471 HG12 HG12 ' C' ' 623' ' ' ILE . 3.1 mt -67.28 -41.8 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.28 -49.34 77.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.27 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 44.9 p -63.78 -50.01 70.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.587 ' SD ' HG21 ' B' ' 622' ' ' ILE . 3.9 mtt -59.08 -33.16 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.494 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 1.5 tmtm? -73.06 -39.25 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.52 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -38.69 92.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.694 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.408 ' HB3' ' NE2' ' A' ' 630' ' ' GLN . 1.5 tp-100 -65.57 -47.37 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.975 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.56 ' HZ2' ' HG3' ' A' ' 633' ' ' GLU . 0.0 OUTLIER -61.34 -39.7 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.08 -42.54 99.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.948 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.657 ' HB3' HG23 ' C' ' 634' ' ' ILE . 3.9 mm-40 -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 111.853 -178.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 633' ' ' GLU . 2.3 mt -69.89 -41.02 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.056 179.267 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -43.06 97.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.518 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -35.04 79.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.985 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.597 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.2 OUTLIER -64.35 -46.56 82.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.778 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.598 HD11 ' O ' ' B' ' 634' ' ' ILE . 1.1 mt -60.27 -41.93 94.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.71 -41.73 99.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.26 -43.55 98.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.732 179.586 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.96 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.507 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.543 ' O ' HD11 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -66.74 -46.49 75.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 179.23 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.559 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 2.4 tt0 -64.75 -34.65 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.577 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 10.5 mttm -66.23 -40.12 90.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.48 -49.32 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.543 HD11 ' O ' ' B' ' 643' ' ' GLU . 2.8 mt -66.27 -38.44 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.052 0.453 . . . . 0.0 111.232 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.557 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -63.53 -39.99 95.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.042 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.61 -38.6 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -46.36 77.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' C' ' 652' ' ' GLN . 17.9 tp -59.84 -35.59 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.738 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.763 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.4 OUTLIER -63.33 -39.44 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.165 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -46.97 78.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.631 ' O ' HG13 ' B' ' 658' ' ' ILE . 1.0 OUTLIER -62.37 -38.54 89.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.498 179.638 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.612 HG12 HD11 ' A' ' 651' ' ' LEU . 70.1 t -60.72 -42.94 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.75 -40.11 95.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.38 -36.39 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.746 179.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.631 HG13 ' O ' ' B' ' 654' ' ' GLU . 55.8 mt -68.89 -45.22 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.755 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.512 ' HG3' HG12 ' A' ' 658' ' ' ILE . 9.4 tttm -65.0 -41.7 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.33 89.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.37 -33.99 76.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.42 -36.97 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' B' ' 659' ' ' LYS . 38.0 mt-30 -74.5 -34.81 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.776 0.322 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -67.68 -37.23 82.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.26 -42.81 83.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.46 -32.64 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.403 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.97 -39.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.79 -39.51 74.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.138 0.494 . . . . 0.0 111.819 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' C' ' 615' ' ' GLN . 12.6 mt-10 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.442 179.386 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.687 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -65.23 -36.58 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.752 0.31 . . . . 0.0 111.13 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.671 ' HG2' HD21 ' B' ' 612' ' ' LEU . 10.4 mtt180 -59.38 -45.31 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.021 -179.784 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 614' ' ' THR . . . . . 0.479 HG22 ' O ' ' C' ' 611' ' ' GLU . 1.3 t -67.6 -28.14 67.5 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.638 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' C' ' 611' ' ' GLU . 45.2 mm-40 -68.47 -48.17 65.2 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.065 0.459 . . . . 0.0 111.186 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.485 HG21 ' O ' ' C' ' 613' ' ' ARG . 2.5 m -65.36 -41.84 92.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.51 -45.41 94.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.52 -30.92 71.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' C' ' 615' ' ' GLN . 28.1 mt -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.78 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.651 HH11 ' HB2' ' C' ' 620' ' ' ARG . 0.1 OUTLIER -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.86 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 2.9 p -67.73 -34.42 76.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.646 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.588 HG21 ' SD ' ' C' ' 626' ' ' MET . 1.4 mt -62.56 -46.72 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.539 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.29 -41.74 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.38 -49.29 77.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.434 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 45.0 p -63.8 -49.98 70.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.588 ' SD ' HG21 ' C' ' 622' ' ' ILE . 3.9 mtt -59.22 -33.04 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.506 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 1.5 tmtm? -73.09 -39.25 65.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.49 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -38.63 91.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.404 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.56 -47.34 76.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.976 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.57 ' HZ2' ' HG3' ' B' ' 633' ' ' GLU . 0.0 OUTLIER -61.41 -39.71 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -61.98 -42.61 99.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.999 179.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.666 ' HB3' HG23 ' A' ' 634' ' ' ILE . 3.9 mm-40 -61.48 -38.09 86.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 111.878 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' B' ' 633' ' ' GLU . 2.3 mt -69.83 -40.99 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.156 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.1 97.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.466 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -35.01 79.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.594 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.2 OUTLIER -64.36 -46.6 82.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.595 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.597 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 1.1 mt -60.17 -41.94 93.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.204 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.23 91.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.59 -41.75 99.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.029 0.443 . . . . 0.0 110.944 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.582 HD12 HD12 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.34 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.808 179.582 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -36.84 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.55 -179.399 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.531 ' O ' HD11 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -66.79 -46.45 75.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.21 179.207 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.568 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 2.4 tt0 -64.81 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.559 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.19 90.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.39 -49.42 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.531 HD11 ' O ' ' C' ' 643' ' ' GLU . 2.8 mt -66.28 -38.36 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.998 0.428 . . . . 0.0 111.223 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.542 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.7 ttp-105 -63.61 -39.87 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.76 -38.54 89.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -66.01 -46.5 77.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.759 HD13 ' HG3' ' A' ' 652' ' ' GLN . 17.9 tp -59.78 -35.61 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.737 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.175 -179.795 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -47.06 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.327 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.633 ' O ' HG13 ' C' ' 658' ' ' ILE . 1.0 OUTLIER -62.29 -38.45 89.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.573 179.578 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.622 HG12 HD11 ' B' ' 651' ' ' LEU . 69.9 t -60.86 -42.84 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.82 -40.03 95.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -36.46 84.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.633 HG13 ' O ' ' C' ' 654' ' ' GLU . 56.3 mt -68.99 -45.15 80.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.668 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.513 ' HG3' HG12 ' B' ' 658' ' ' ILE . 9.4 tttm -65.03 -41.62 95.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -45.34 88.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.34 -34.05 76.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.45 -36.88 77.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.503 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' C' ' 659' ' ' LYS . 38.0 mt-30 -74.58 -34.74 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -35.24 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.32 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.38 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.32 85.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . 0.47 ' HB3' HG13 ' B' ' 609' ' ' VAL . . . -69.17 -36.78 77.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.43 -179.701 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.484 HG13 ' HB3' ' C' ' 608' ' ' ALA . 74.6 t -66.49 -36.84 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.608 -179.561 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.63 84.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.15 0.5 . . . . 0.0 111.772 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.66 ' O ' HG22 ' A' ' 614' ' ' THR . 3.5 mt-10 -60.17 -37.83 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.468 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.498 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.2 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.494 ' HG2' HD21 ' C' ' 612' ' ' LEU . 4.1 mmt180 -55.05 -46.44 75.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 611' ' ' GLU . 5.2 t -69.34 -29.44 67.25 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.63 179.779 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 611' ' ' GLU . 2.0 mt-30 -68.83 -43.52 75.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 4.0 m -68.75 -37.28 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -62.76 -49.74 73.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.342 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' B' ' 619' ' ' LEU . 0.2 OUTLIER -61.12 -46.94 88.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 -179.776 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.592 ' HA ' HD13 ' A' ' 623' ' ' ILE . 1.0 OUTLIER -62.26 -34.31 76.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.856 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 5.9 m -67.4 -34.67 77.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 619' ' ' LEU . 9.1 mt -63.93 -44.78 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.619 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' A' ' 620' ' ' ARG . 1.5 mt -66.17 -34.96 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.52 -50.79 62.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -45.81 91.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.977 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.604 ' SD ' HG21 ' A' ' 622' ' ' ILE . 3.9 mtt -61.2 -37.5 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.766 ' HZ3' ' HB3' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -65.24 -41.72 94.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.085 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . 0.46 ' HB3' HH12 ' A' ' 632' ' ' ARG . 0.7 OUTLIER -63.86 -39.16 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.815 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.766 ' HB3' ' HZ3' ' B' ' 627' ' ' LYS . 7.2 tp-100 -60.92 -49.51 77.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -34.55 75.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.992 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.88 -32.05 68.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . 0.46 HH12 ' HB3' ' A' ' 628' ' ' ASP . 0.1 OUTLIER -65.51 -44.48 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.016 179.643 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.53 -39.3 88.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.048 0.451 . . . . 0.0 111.951 -179.054 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.675 HG22 HD11 ' A' ' 638' ' ' LEU . 6.8 mt -63.59 -38.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.12 179.215 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -44.71 87.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.496 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -32.96 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.05 -40.36 90.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.675 HD11 HG22 ' A' ' 634' ' ' ILE . 1.5 mt -64.89 -38.16 90.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.113 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -38.51 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -65.61 -42.87 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.499 ' N ' HD11 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.85 -43.42 96.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.795 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -34.17 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.519 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -66.38 -42.53 87.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.223 179.288 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.56 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 11.0 tt0 -72.18 -33.85 67.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.52 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -41.29 97.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.7 mt -70.97 -44.0 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 111.194 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.56 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.6 ttp-105 -58.75 -37.63 76.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.065 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.49 -44.78 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 650' ' ' ARG . 5.3 tmm_? -61.47 -34.68 75.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.752 HD13 ' HA ' ' B' ' 652' ' ' GLN . 19.9 tp -66.07 -36.81 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.737 ' HA ' HD13 ' C' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.81 79.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.127 -179.791 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.278 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.82 87.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.495 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' C' ' 654' ' ' GLU . 13.9 t -66.22 -47.96 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.175 -179.42 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.86 -46.82 83.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.5 mt -71.28 -35.93 59.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.658 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.74 -44.05 74.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.31 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.53 91.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.77 72.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.4 HD13 HG21 ' C' ' 658' ' ' ILE . 0.9 OUTLIER -63.67 -27.68 69.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 179.628 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -39.32 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -42.33 96.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.3 85.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . 0.47 ' HB3' HG13 ' C' ' 609' ' ' VAL . . . -69.05 -36.83 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' A' ' 608' ' ' ALA . 74.4 t -66.49 -36.85 78.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.62 84.66 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 111.769 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.646 ' O ' HG22 ' B' ' 614' ' ' THR . 3.5 mt-10 -60.25 -37.73 81.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 179.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.19 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.498 ' HG2' HD21 ' A' ' 612' ' ' LEU . 4.1 mmt180 -55.09 -46.5 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 614' ' ' THR . . . . . 0.646 HG22 ' O ' ' B' ' 611' ' ' GLU . 5.2 t -69.33 -29.37 67.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.638 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 611' ' ' GLU . 2.0 mt-30 -68.85 -43.49 75.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.987 0.422 . . . . 0.0 111.087 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.0 m -68.79 -37.24 77.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -62.83 -49.69 73.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.384 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -69.35 -29.62 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 179.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 619' ' ' LEU . 0.2 OUTLIER -61.12 -46.99 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.985 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.582 ' HA ' HD13 ' B' ' 623' ' ' ILE . 1.0 OUTLIER -62.14 -34.42 76.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.38 -34.59 77.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 179.498 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' B' ' 619' ' ' LEU . 9.2 mt -63.95 -44.87 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.557 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' B' ' 620' ' ' ARG . 1.5 mt -66.11 -35.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.17 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.4 -50.92 61.83 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.56 -45.87 90.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.608 ' SD ' HG21 ' B' ' 622' ' ' ILE . 3.9 mtt -61.22 -37.4 82.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.864 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.766 ' HZ3' ' HB3' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -65.35 -41.66 93.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.847 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . 0.454 ' HB3' HH12 ' B' ' 632' ' ' ARG . 0.7 OUTLIER -63.81 -39.29 93.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.046 -179.868 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.774 ' HB3' ' HZ3' ' C' ' 627' ' ' LYS . 7.2 tp-100 -60.86 -49.46 77.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.741 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -34.56 75.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 -179.734 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.8 -32.07 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.454 HH12 ' HB3' ' B' ' 628' ' ' ASP . 0.1 OUTLIER -65.54 -44.37 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.022 179.642 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.65 -39.24 88.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 111.93 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.686 HG22 HD11 ' B' ' 638' ' ' LEU . 6.9 mt -63.62 -38.45 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.14 179.204 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -44.82 87.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.44 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.0 -40.41 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.686 HD11 HG22 ' B' ' 634' ' ' ILE . 1.6 mt -64.85 -38.14 89.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.5 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -65.62 -42.83 91.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.499 HD11 ' N ' ' A' ' 641' ' ' LEU . 0.5 OUTLIER -63.89 -43.44 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.724 179.586 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.488 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.432 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -66.32 -42.52 88.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.298 179.237 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.558 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 11.0 tt0 -72.22 -33.89 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.46 -43.13 99.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.754 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.8 mt -71.01 -43.97 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 111.164 -179.637 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.56 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -58.72 -37.69 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.063 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.44 -44.9 85.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.64 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 650' ' ' ARG . 5.3 tmm_? -61.42 -34.7 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.691 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.734 HD13 ' HA ' ' C' ' 652' ' ' GLN . 19.9 tp -66.06 -36.79 84.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.741 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.752 ' HA ' HD13 ' A' ' 651' ' ' LEU . 0.1 OUTLIER -56.32 -43.82 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.108 -179.768 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -40.71 96.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.881 0.372 . . . . 0.0 111.367 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.524 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.83 87.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 179.569 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.505 HG12 ' HB3' ' A' ' 654' ' ' GLU . 13.8 t -66.15 -48.0 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 -179.484 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.46 -28.7 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.91 -46.83 83.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.524 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.5 mt -71.28 -35.91 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.66 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.77 -44.05 74.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.43 90.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.66 72.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.301 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.407 HD13 HG21 ' A' ' 658' ' ' ILE . 0.9 OUTLIER -63.61 -27.71 69.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -39.32 62.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.37 -42.32 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.28 -37.29 84.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . 0.484 ' HB3' HG13 ' A' ' 609' ' ' VAL . . . -69.15 -36.74 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' B' ' 608' ' ' ALA . 74.2 t -66.54 -36.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.39 -38.6 84.46 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.131 0.491 . . . . 0.0 111.784 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.652 ' O ' HG22 ' C' ' 614' ' ' THR . 3.5 mt-10 -60.28 -37.76 81.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.41 179.446 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.494 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -70.86 -38.16 73.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 111.092 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.505 ' HG2' HD21 ' B' ' 612' ' ' LEU . 4.1 mmt180 -55.05 -46.51 75.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 614' ' ' THR . . . . . 0.652 HG22 ' O ' ' C' ' 611' ' ' GLU . 5.2 t -69.37 -29.42 67.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.631 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' C' ' 611' ' ' GLU . 2.0 mt-30 -68.81 -43.45 75.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 111.163 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 4.0 m -68.87 -37.17 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -62.9 -49.67 73.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.304 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -69.38 -29.52 67.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 619' ' ' LEU . 0.2 OUTLIER -61.22 -46.98 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.83 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -62.12 -34.38 76.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.981 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.51 -34.54 77.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' C' ' 619' ' ' LEU . 9.2 mt -63.9 -44.85 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.652 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' C' ' 620' ' ' ARG . 1.5 mt -66.17 -34.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.219 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.53 -50.87 61.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -45.88 90.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.597 ' SD ' HG21 ' C' ' 622' ' ' ILE . 3.8 mtt -61.23 -37.43 83.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.774 ' HZ3' ' HB3' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.858 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . 0.465 ' HB3' HH12 ' C' ' 632' ' ' ARG . 0.7 OUTLIER -63.89 -39.22 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.899 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.766 ' HB3' ' HZ3' ' A' ' 627' ' ' LYS . 7.2 tp-100 -60.85 -49.51 77.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.811 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -34.58 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.77 -32.11 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . 0.465 HH12 ' HB3' ' C' ' 628' ' ' ASP . 0.1 OUTLIER -65.53 -44.47 86.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.953 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.52 -39.36 88.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 111.935 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.666 HG22 HD11 ' C' ' 638' ' ' LEU . 6.9 mt -63.57 -38.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.098 179.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -44.73 87.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -33.05 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.99 -40.44 91.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.781 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.666 HD11 HG22 ' C' ' 634' ' ' ILE . 1.5 mt -64.8 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.749 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -38.51 89.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -65.58 -42.91 91.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 179.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.497 HD11 ' N ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.82 -43.52 96.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.745 179.574 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -34.27 76.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.522 -179.382 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.425 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -66.25 -42.68 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.224 179.282 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.56 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 11.0 tt0 -72.16 -33.86 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.55 -43.16 99.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.663 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.28 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.231 -179.618 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.7 mt -70.94 -43.95 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.114 0.483 . . . . 0.0 111.253 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.558 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.6 ttp-105 -58.8 -37.65 76.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.022 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.4 -44.89 86.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -61.41 -34.7 75.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.737 HD13 ' HA ' ' A' ' 652' ' ' GLN . 19.9 tp -66.0 -36.82 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.734 ' HA ' HD13 ' B' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.85 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.191 -179.838 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -40.74 96.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.526 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.58 -37.79 87.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.524 179.59 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.493 HG12 ' HB3' ' B' ' 654' ' ' GLU . 13.7 t -66.14 -48.03 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.43 -28.68 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.94 -46.86 82.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.716 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.526 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.5 mt -71.31 -35.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.662 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.76 -44.09 74.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -38.55 91.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.414 HD13 HG21 ' B' ' 658' ' ' ILE . 0.9 OUTLIER -63.65 -27.7 69.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.53 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -39.36 62.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -17.35 54.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' B' ' 605' ' ' SER . 58.2 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -65.61 -44.07 87.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.85 -43.7 90.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . 0.444 ' HB3' HG11 ' B' ' 609' ' ' VAL . . . -63.36 -32.04 73.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.416 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.427 HG11 ' HB3' ' C' ' 608' ' ' ALA . 83.1 t -65.75 -35.47 75.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.547 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.3 OUTLIER -61.1 -32.49 72.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 111.838 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 614' ' ' THR . 3.3 mt-10 -65.73 -39.82 91.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.442 179.448 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.502 ' HB3' ' HG ' ' C' ' 612' ' ' LEU . 2.2 mm? -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.547 ' HG3' ' HA ' ' A' ' 610' ' ' GLU . 5.1 mtt180 -59.25 -45.46 91.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 611' ' ' GLU . 3.4 t -71.05 -37.4 72.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.608 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.41 -50.65 70.66 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 111.123 -179.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.491 ' HA ' HD11 ' A' ' 619' ' ' LEU . 30.3 m -63.39 -43.59 98.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.41 ' N ' HG21 ' A' ' 616' ' ' VAL . 1.5 tpp180 -56.42 -52.12 65.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.389 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.58 -33.65 76.42 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 179.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.83 -48.31 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.677 ' HA ' HD13 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -62.02 -41.02 97.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.907 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -62.0 -34.47 76.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.98 -45.75 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.603 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 620' ' ' ARG . 2.0 mt -67.51 -34.19 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.98 -52.77 54.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -179.38 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.25 -38.44 90.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.013 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.542 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 4.1 mtt -60.6 -44.15 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.694 ' HZ3' ' HB3' ' C' ' 629' ' ' GLN . 0.1 OUTLIER -67.72 -35.93 79.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . 0.537 ' HB3' ' NH2' ' A' ' 632' ' ' ARG . 0.7 OUTLIER -67.24 -40.48 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.004 -179.814 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.683 ' HB3' ' HZ3' ' B' ' 627' ' ' LYS . 0.5 OUTLIER -66.48 -46.13 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.539 ' HA ' ' OE1' ' A' ' 630' ' ' GLN . 0.4 OUTLIER -64.89 -37.99 89.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.804 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 1.8 tttp -61.02 -41.3 96.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . 0.537 ' NH2' ' HB3' ' A' ' 628' ' ' ASP . 6.3 mtm180 -64.18 -37.61 88.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.98 179.669 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.27 -41.66 99.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.065 0.46 . . . . 0.0 111.891 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.446 HG23 HD13 ' C' ' 637' ' ' LEU . 61.6 mt -67.79 -47.64 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.101 179.242 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -52.8 -49.04 66.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.444 -179.541 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -39.94 78.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.921 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.443 HD13 HG23 ' B' ' 634' ' ' ILE . 1.0 OUTLIER -62.93 -35.39 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.688 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' C' ' 637' ' ' LEU . 0.2 OUTLIER -64.75 -40.87 96.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.752 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.31 -36.11 78.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.39 -40.17 89.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.011 0.434 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -43.74 86.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.746 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.02 -39.8 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.484 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 tp10 -60.69 -41.58 95.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.203 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.476 ' HG3' ' HE2' ' B' ' 645' ' ' LYS . 0.3 OUTLIER -65.35 -32.92 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.856 179.88 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.477 ' HE2' ' HG3' ' C' ' 644' ' ' GLU . 18.1 mmtt -65.73 -36.77 84.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.27 -48.41 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -64.96 -40.2 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.065 0.46 . . . . 0.0 111.211 -179.656 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.433 ' HE ' HE22 ' A' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.09 90.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -43.58 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -63.32 -34.81 78.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.687 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.507 ' CD1' ' HG3' ' B' ' 652' ' ' GLN . 13.7 tp -64.05 -44.87 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.502 ' HG3' ' CD1' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -53.58 -41.83 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 -179.764 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 653' ' ' MET . . . . . 0.523 ' HE1' ' HA ' ' A' ' 653' ' ' MET . 0.4 OUTLIER -60.76 -40.64 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.302 -179.715 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . 0.472 ' O ' HG13 ' A' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.96 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.59 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.07 -46.96 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.14 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.71 -29.08 69.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.32 -46.5 76.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.4 mt -67.09 -38.59 81.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.726 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.06 -41.82 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.83 76.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.328 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -27.88 68.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.54 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.84 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 179.967 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 605' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' C' ' 605' ' ' SER . 58.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -65.65 -44.01 87.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.79 90.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . 0.436 ' HB3' HG11 ' C' ' 609' ' ' VAL . . . -63.32 -31.98 73.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 608' ' ' ALA . 83.0 t -65.82 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 -179.479 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . 0.552 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.3 OUTLIER -61.2 -32.62 72.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.167 0.508 . . . . 0.0 111.764 179.651 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.6 ' O ' HG22 ' B' ' 614' ' ' THR . 3.3 mt-10 -65.51 -39.92 92.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 179.382 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.506 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 2.2 mm? -71.03 -33.79 70.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.552 ' HG3' ' HA ' ' B' ' 610' ' ' GLU . 5.1 mtt180 -59.3 -45.48 91.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.013 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 614' ' ' THR . . . . . 0.6 HG22 ' O ' ' B' ' 611' ' ' GLU . 3.4 t -71.11 -37.25 72.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.664 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.46 -50.71 70.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.997 0.427 . . . . 0.0 111.171 -179.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' B' ' 619' ' ' LEU . 30.2 m -63.3 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.41 ' N ' HG21 ' B' ' 616' ' ' VAL . 1.5 tpp180 -56.41 -52.19 65.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.277 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.55 -33.6 76.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.536 ' HB3' HD22 ' A' ' 619' ' ' LEU . 0.3 OUTLIER -55.84 -48.33 75.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.664 ' HA ' HD13 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -62.08 -40.97 97.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.99 -34.44 76.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.02 -45.7 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.636 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' B' ' 620' ' ' ARG . 2.0 mt -67.6 -34.09 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.09 -52.7 54.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.35 -38.39 89.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.957 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.544 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 4.2 mtt -60.58 -44.14 96.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.683 ' HZ3' ' HB3' ' A' ' 629' ' ' GLN . 0.1 OUTLIER -67.79 -35.89 79.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.839 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . 0.54 ' HB3' ' NH2' ' B' ' 632' ' ' ARG . 0.7 OUTLIER -67.34 -40.36 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 -179.781 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.681 ' HB3' ' HZ3' ' C' ' 627' ' ' LYS . 0.4 OUTLIER -66.5 -46.09 77.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.669 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.545 ' HA ' ' OE1' ' B' ' 630' ' ' GLN . 0.4 OUTLIER -65.01 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.729 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -61.07 -41.25 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.54 ' NH2' ' HB3' ' B' ' 628' ' ' ASP . 6.3 mtm180 -64.12 -37.68 88.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.983 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.26 -41.64 99.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.025 0.44 . . . . 0.0 111.882 -179.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.443 HG23 HD13 ' A' ' 637' ' ' LEU . 61.5 mt -67.76 -47.61 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.083 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -49.01 66.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.405 -179.434 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -39.96 78.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.459 HD13 HG23 ' C' ' 634' ' ' ILE . 1.0 OUTLIER -62.91 -35.33 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.598 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 637' ' ' LEU . 0.2 OUTLIER -64.84 -40.86 95.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 -179.738 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 2.5 t -68.34 -35.97 78.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.79 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.5 -40.23 89.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.735 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.93 -39.82 86.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.528 -179.363 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.534 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 tp10 -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.233 179.256 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.485 ' HG3' ' HE2' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -65.33 -32.92 74.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.476 ' HE2' ' HG3' ' A' ' 644' ' ' GLU . 18.2 mmtt -65.72 -36.71 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.35 -48.37 73.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -64.95 -40.27 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.16 -179.651 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.434 ' HE ' HE22 ' B' ' 652' ' ' GLN . 9.6 ttp-105 -63.79 -45.26 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -43.57 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.83 78.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.507 ' CD1' ' HG3' ' C' ' 652' ' ' GLN . 13.7 tp -64.09 -44.84 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.507 ' HG3' ' CD1' ' A' ' 651' ' ' LEU . 0.0 OUTLIER -53.56 -41.84 66.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.184 -179.824 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 653' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' B' ' 653' ' ' MET . 0.4 OUTLIER -60.71 -40.7 93.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.337 -179.768 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . 0.47 ' O ' HG13 ' B' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.99 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.551 179.617 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.02 -46.9 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 111.21 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.72 -29.11 69.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.28 -46.51 76.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.4 mt -67.19 -38.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.633 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.09 -41.76 90.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.79 -35.83 80.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.87 76.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.363 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.93 68.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.88 31.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 605' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' B' ' 605' ' ' SER . 58.3 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.794 0.33 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -65.78 -43.92 87.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.7 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . 0.427 ' HB3' HG11 ' A' ' 609' ' ' VAL . . . -63.32 -32.01 73.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.405 -179.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' B' ' 608' ' ' ALA . 82.9 t -65.73 -35.5 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.554 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . 0.538 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.3 OUTLIER -61.13 -32.56 72.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.073 0.463 . . . . 0.0 111.79 179.605 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.581 ' O ' HG22 ' C' ' 614' ' ' THR . 3.3 mt-10 -65.64 -39.87 91.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.427 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.506 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 2.2 mm? -70.99 -33.91 70.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' C' ' 610' ' ' GLU . 5.2 mtt180 -59.26 -45.45 91.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.027 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 614' ' ' THR . . . . . 0.581 HG22 ' O ' ' C' ' 611' ' ' GLU . 3.4 t -71.06 -37.36 72.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.652 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.412 ' N ' HG21 ' C' ' 614' ' ' THR . 33.0 mt-30 -62.43 -50.73 70.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.484 ' HA ' HD11 ' C' ' 619' ' ' LEU . 30.1 m -63.21 -43.7 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . 0.404 ' N ' HG21 ' C' ' 616' ' ' VAL . 1.5 tpp180 -56.39 -52.16 65.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.57 -33.62 76.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.533 ' HB3' HD22 ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.89 -48.28 75.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.986 -179.837 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -61.97 -41.03 97.56 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.862 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.97 -34.52 76.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 50.3 mt -69.0 -45.73 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' C' ' 620' ' ' ARG . 2.0 mt -67.54 -34.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.02 -52.74 54.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.253 -179.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.29 -38.36 90.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.02 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.552 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 4.2 mtt -60.6 -44.14 96.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.681 ' HZ3' ' HB3' ' B' ' 629' ' ' GLN . 0.1 OUTLIER -67.72 -35.98 79.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 -179.87 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . 0.545 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.7 OUTLIER -67.26 -40.36 86.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -179.803 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.694 ' HB3' ' HZ3' ' A' ' 627' ' ' LYS . 0.4 OUTLIER -66.52 -46.14 77.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.774 179.694 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.4 OUTLIER -64.96 -37.93 89.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.001 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 1.8 tttp -61.08 -41.28 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . 0.545 ' NH2' ' HB3' ' C' ' 628' ' ' ASP . 6.3 mtm180 -64.15 -37.66 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.24 -41.67 99.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 0.0 111.909 -179.027 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.459 HG23 HD13 ' B' ' 637' ' ' LEU . 61.5 mt -67.76 -47.6 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.129 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -52.89 -48.99 66.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.442 -179.535 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -39.82 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.995 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.446 HD13 HG23 ' A' ' 634' ' ' ILE . 1.0 OUTLIER -63.04 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.755 179.584 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' B' ' 637' ' ' LEU . 0.2 OUTLIER -64.98 -40.82 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.115 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.29 -36.07 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.45 -40.1 89.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -43.65 86.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.789 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.13 -39.71 87.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.473 -179.323 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.532 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 tp10 -60.71 -41.61 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.173 179.266 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.477 ' HG3' ' HE2' ' A' ' 645' ' ' LYS . 0.3 OUTLIER -65.25 -32.95 74.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.903 179.859 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.485 ' HE2' ' HG3' ' B' ' 644' ' ' GLU . 18.1 mmtt -65.74 -36.71 84.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.3 -48.34 73.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.289 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.532 HG13 ' O ' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -64.94 -40.22 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 121.119 0.485 . . . . 0.0 111.215 -179.674 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.42 ' HE ' HE22 ' C' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.2 90.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.048 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -43.57 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.82 78.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.713 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.502 ' CD1' ' HG3' ' A' ' 652' ' ' GLN . 13.8 tp -64.07 -44.92 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.74 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.507 ' HG3' ' CD1' ' B' ' 651' ' ' LEU . 0.0 OUTLIER -53.51 -41.8 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 -179.796 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 653' ' ' MET . . . . . 0.527 ' HE1' ' HA ' ' C' ' 653' ' ' MET . 0.4 OUTLIER -60.82 -40.64 93.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 -179.71 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . 0.469 ' O ' HG13 ' C' ' 658' ' ' ILE . 32.3 tt0 -67.55 -42.03 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.95 -46.9 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.999 0.428 . . . . 0.0 111.24 -179.578 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.81 -29.09 69.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.23 -46.54 76.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 179.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.469 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.4 mt -67.18 -38.56 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.681 -179.657 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.14 -41.71 90.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.323 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.85 -35.81 80.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.86 76.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.89 68.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.67 -27.82 31.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 15.5 m -74.4 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.772 0.32 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -63.62 -46.83 83.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.13 76.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.87 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.445 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.409 HG12 HD21 ' C' ' 612' ' ' LEU . 85.0 t -68.8 -38.36 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.553 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.478 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.9 OUTLIER -55.26 -48.84 73.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 179.706 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.65 ' O ' HG22 ' A' ' 614' ' ' THR . 4.0 mt-10 -59.71 -34.03 72.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.625 ' HB3' ' HG ' ' C' ' 612' ' ' LEU . 0.5 OUTLIER -70.26 -32.43 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.129 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 616' ' ' VAL . 4.4 mtt180 -61.85 -46.24 90.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 611' ' ' GLU . 1.5 t -64.6 -32.08 73.58 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.652 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.02 -46.43 71.22 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.05 0.453 . . . . 0.0 111.157 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 613' ' ' ARG . 5.9 m -64.96 -39.98 87.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -54.8 33.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -58.57 -39.4 80.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.539 HD21 ' HG3' ' B' ' 620' ' ' ARG . 19.1 mt -56.18 -43.38 78.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.604 ' HA ' HD13 ' A' ' 623' ' ' ILE . 3.4 ttm105 -66.5 -32.78 74.35 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.04 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.04 -33.03 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.7 -49.42 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.613 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.715 HG22 ' SD ' ' C' ' 626' ' ' MET . 1.3 mt -61.39 -36.42 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.21 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.357 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.18 87.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.051 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.701 ' SD ' HG22 ' B' ' 623' ' ' ILE . 29.9 mtt -68.87 -35.53 77.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.809 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 3.1 tmtm? -65.28 -37.37 86.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.57 -39.56 67.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.0 OUTLIER -64.74 -41.86 95.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.794 179.684 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -43.84 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . 0.496 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 2.5 mttp -64.76 -34.53 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -62.05 -39.39 92.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.983 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 25.4 mt-10 -72.45 -44.14 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.461 . . . . 0.0 111.904 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.571 HG13 HD12 ' B' ' 634' ' ' ILE . 96.9 mt -58.32 -42.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.079 179.28 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.52 -40.96 98.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.527 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -37.49 80.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' B' ' 638' ' ' LEU . 6.5 mt -68.32 -33.48 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.63 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.615 ' HA ' HD22 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -63.37 -46.8 84.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.729 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -33.35 75.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.492 ' HB3' HD13 ' B' ' 641' ' ' LEU . 13.5 tt0 -66.81 -44.1 82.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' C' ' 640' ' ' GLU . 1.0 OUTLIER -65.97 -32.48 73.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.742 179.579 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.45 -44.84 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.69 -45.87 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.271 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 179.895 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.462 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 17.1 mmtt -64.08 -44.08 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -45.0 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.45 -38.77 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.026 0.441 . . . . 0.0 111.175 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 644' ' ' GLU . 0.0 OUTLIER -65.86 -40.06 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.009 -179.789 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -37.92 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.41 91.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' B' ' 652' ' ' GLN . 9.9 tp -60.9 -40.46 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.543 ' HA ' HD13 ' C' ' 651' ' ' LEU . 0.6 OUTLIER -59.59 -42.13 91.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.122 -179.8 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -45.16 93.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.275 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.04 -42.9 99.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.536 179.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.424 HG22 HD13 ' C' ' 651' ' ' LEU . 16.2 t -65.23 -40.97 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.148 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -60.96 -41.08 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.02 -46.37 81.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.601 HD13 ' HD2' ' B' ' 659' ' ' LYS . 9.1 mt -61.13 -43.88 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.68 -179.689 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.611 ' HD2' HD13 ' C' ' 658' ' ' ILE . 10.1 tttt -67.09 -36.54 82.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -41.19 91.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.761 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.54 90.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.332 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.42 -29.6 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.992 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 43.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.761 0.315 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.58 -46.9 83.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.13 76.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.473 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . 0.407 HG12 HD21 ' A' ' 612' ' ' LEU . 85.7 t -68.76 -38.32 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.69 -179.595 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . 0.464 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.9 OUTLIER -55.18 -48.84 73.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.209 0.528 . . . . 0.0 111.799 179.594 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.656 ' O ' HG22 ' B' ' 614' ' ' THR . 4.0 mt-10 -59.74 -34.08 72.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.433 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.609 ' HB3' ' HG ' ' A' ' 612' ' ' LEU . 0.5 OUTLIER -70.32 -32.35 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.04 -179.715 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.581 ' O ' HG23 ' B' ' 616' ' ' VAL . 4.4 mtt180 -61.92 -46.29 89.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.956 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 614' ' ' THR . . . . . 0.656 HG22 ' O ' ' B' ' 611' ' ' GLU . 1.5 t -64.59 -32.14 73.66 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.659 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -67.87 -46.46 71.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -179.522 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 613' ' ' ARG . 6.0 m -64.94 -40.01 87.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -54.82 32.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.296 -179.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.5 -39.43 80.04 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.533 HD21 ' HG3' ' C' ' 620' ' ' ARG . 19.1 mt -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.007 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.604 ' HA ' HD13 ' B' ' 623' ' ' ILE . 3.4 ttm105 -66.6 -32.81 74.38 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.06 -33.02 65.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.67 -49.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.643 -179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.701 HG22 ' SD ' ' A' ' 626' ' ' MET . 1.3 mt -61.38 -36.38 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.238 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.79 -45.0 79.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -179.418 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -42.13 86.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.028 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.712 ' SD ' HG22 ' C' ' 623' ' ' ILE . 29.9 mtt -68.95 -35.45 76.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 3.1 tmtm? -65.3 -37.37 86.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.59 -39.62 67.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.057 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.0 OUTLIER -64.67 -41.95 95.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.794 179.702 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.45 -44.08 83.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . 0.49 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 2.5 mttp -64.61 -34.59 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -62.03 -39.3 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.013 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 25.5 mt-10 -72.6 -44.11 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 111.852 -178.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.571 HD12 HG13 ' A' ' 634' ' ' ILE . 97.0 mt -58.24 -42.36 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.13 179.195 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.476 -179.595 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -37.56 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.965 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' C' ' 638' ' ' LEU . 6.4 mt -68.31 -33.56 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 179.69 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.613 ' HA ' HD22 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -63.25 -46.84 84.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.119 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.485 ' HB3' HD13 ' C' ' 641' ' ' LEU . 13.6 tt0 -66.82 -44.14 81.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 640' ' ' GLU . 1.0 OUTLIER -65.89 -32.51 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.774 179.534 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 -44.79 77.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.559 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.82 -45.8 93.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.254 179.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -66.17 -32.31 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.946 179.83 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.451 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 17.1 mmtt -64.04 -44.11 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.88 -44.9 88.16 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.273 -179.662 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.45 -38.74 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.021 0.438 . . . . 0.0 111.243 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' B' ' 644' ' ' GLU . 0.0 OUTLIER -65.82 -40.04 91.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.088 -179.862 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.82 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.65 -39.47 91.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.632 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.538 HD13 ' HA ' ' C' ' 652' ' ' GLN . 9.9 tp -60.89 -40.5 93.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 651' ' ' LEU . 0.6 OUTLIER -59.51 -42.15 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.167 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -45.13 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.01 -42.93 99.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.421 HG22 HD13 ' A' ' 651' ' ' LEU . 16.2 t -65.22 -40.97 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 -179.454 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -60.97 -41.18 95.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.86 -46.44 81.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.6 HD13 ' HD2' ' C' ' 659' ' ' LYS . 9.1 mt -61.11 -43.89 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.655 -179.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.601 ' HD2' HD13 ' A' ' 658' ' ' ILE . 10.1 tttt -67.11 -36.58 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -41.15 91.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.59 90.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.308 -179.764 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -29.64 69.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.58 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 179.978 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.56 -46.83 84.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.22 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.8 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.64 76.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.497 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . 0.409 HG12 HD21 ' B' ' 612' ' ' LEU . 86.2 t -68.74 -38.36 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . 0.479 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.9 OUTLIER -55.17 -48.94 73.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.13 0.491 . . . . 0.0 111.752 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.651 ' O ' HG22 ' C' ' 614' ' ' THR . 4.0 mt-10 -59.64 -34.15 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.625 ' HG ' ' HB3' ' A' ' 612' ' ' LEU . 0.5 OUTLIER -70.25 -32.4 70.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 111.106 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.585 ' O ' HG23 ' C' ' 616' ' ' VAL . 4.4 mtt180 -61.8 -46.26 90.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.031 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 614' ' ' THR . . . . . 0.651 HG22 ' O ' ' C' ' 611' ' ' GLU . 1.5 t -64.69 -32.09 73.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.569 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . 0.401 ' HB3' HH22 ' A' ' 620' ' ' ARG . 2.0 mm-40 -67.94 -46.55 71.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 111.104 -179.44 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . 0.585 HG23 ' O ' ' C' ' 613' ' ' ARG . 6.0 m -64.84 -40.04 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -54.82 32.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.345 -179.759 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.54 -39.39 80.05 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 179.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.538 HD21 ' HG3' ' A' ' 620' ' ' ARG . 19.1 mt -56.14 -43.48 78.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.613 ' HA ' HD13 ' C' ' 623' ' ' ILE . 3.4 ttm105 -66.51 -32.75 74.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.3 m -73.07 -33.03 65.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.609 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.7 -49.44 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.712 HG22 ' SD ' ' B' ' 626' ' ' MET . 1.3 mt -61.44 -36.39 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.163 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.83 -45.0 79.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.22 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.17 87.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.019 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.715 ' SD ' HG22 ' A' ' 623' ' ' ILE . 29.9 mtt -68.91 -35.51 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.508 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 3.1 tmtm? -65.21 -37.39 87.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.63 -39.57 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.0 OUTLIER -64.72 -41.94 95.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.808 179.71 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.401 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -66.51 -43.98 83.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . 0.485 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 2.5 mttp -64.75 -34.56 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -62.07 -39.3 91.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 25.4 mt-10 -72.56 -44.04 62.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 111.926 -179.037 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.562 HG13 HD12 ' A' ' 634' ' ' ILE . 97.0 mt -58.32 -42.42 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.103 179.201 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -40.95 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.465 -179.552 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.57 80.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.615 HD22 ' HA ' ' A' ' 638' ' ' LEU . 6.5 mt -68.23 -33.53 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.593 ' HA ' HD22 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -63.38 -46.76 84.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.148 -179.693 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -33.33 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.487 ' HB3' HD13 ' A' ' 641' ' ' LEU . 13.5 tt0 -66.9 -44.14 81.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.992 0.425 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' B' ' 640' ' ' GLU . 1.0 OUTLIER -65.93 -32.42 73.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.759 179.573 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.54 -44.78 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.503 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.79 -45.81 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 179.274 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -66.2 -32.38 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.851 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.456 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 17.1 mmtt -64.01 -44.09 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.86 -44.94 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 -179.656 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.47 -38.8 77.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.043 0.449 . . . . 0.0 111.229 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' C' ' 644' ' ' GLU . 0.0 OUTLIER -65.79 -40.01 91.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.037 -179.808 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -37.92 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.39 91.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.672 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 652' ' ' GLN . 9.9 tp -60.87 -40.53 93.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.538 ' HA ' HD13 ' B' ' 651' ' ' LEU . 0.6 OUTLIER -59.52 -42.11 91.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.211 -179.809 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.336 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -62.11 -42.94 99.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.527 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.439 HG22 HD13 ' B' ' 651' ' ' LEU . 16.0 t -65.09 -41.06 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -61.0 -41.04 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.03 -46.34 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 179.585 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.611 HD13 ' HD2' ' A' ' 659' ' ' LYS . 9.1 mt -61.17 -43.9 97.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.656 -179.647 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.6 ' HD2' HD13 ' B' ' 658' ' ' ILE . 10.0 tttt -67.03 -36.55 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -41.24 91.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.57 90.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.304 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -29.75 69.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.55 37.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.02 -66.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.05 -44.13 85.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.47 81.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.65 -33.95 77.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.21 -33.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.653 -179.561 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -38.46 82.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.151 0.5 . . . . 0.0 111.758 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 611' ' ' GLU . . . . . 0.711 ' O ' HG22 ' A' ' 614' ' ' THR . 1.6 mt-10 -64.75 -38.9 92.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 612' ' ' LEU . . . . . 0.633 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.7 -40.6 84.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.118 -179.8 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.026 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 611' ' ' GLU . 7.0 t -70.42 -25.78 63.37 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.613 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.84 -47.1 63.99 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.977 0.417 . . . . 0.0 111.192 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.82 -39.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.69 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.324 -179.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.435 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.9 tp10 -63.37 -33.5 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 622' ' ' ILE . 2.4 mt -61.38 -45.97 92.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 620' ' ' ARG . . . . . 0.609 ' HG3' HD22 ' C' ' 619' ' ' LEU . 1.3 mtm105 -61.19 -37.5 83.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 39.1 m -66.03 -35.05 79.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.64 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 619' ' ' LEU . 26.6 mt -60.98 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.63 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 623' ' ' ILE . . . . . 0.532 HD11 HG12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.94 -33.31 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.236 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.11 -44.22 84.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -42.42 74.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.014 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 626' ' ' MET . . . . . 0.451 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 14.9 mtt -62.7 -40.63 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.445 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 1.4 tmtm? -67.56 -37.85 83.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.02 -39.21 83.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.72 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 630' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -67.59 -32.88 73.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.951 -179.772 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.22 -41.29 81.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.18 -40.07 93.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.001 179.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.85 -42.09 95.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.038 0.447 . . . . 0.0 111.855 -179.059 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.512 HG22 HD13 ' C' ' 637' ' ' LEU . 98.1 mt -65.37 -42.14 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.062 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.465 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.8 76.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 637' ' ' LEU . . . . . 0.562 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.2 OUTLIER -63.34 -44.58 94.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 638' ' ' LEU . . . . . 0.558 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 1.3 mt -61.64 -36.69 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.731 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -41.92 98.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.796 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 640' ' ' GLU . . . . . 0.437 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.5 tt0 -65.16 -45.03 86.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.845 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -40.86 90.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.799 179.576 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.4 -38.66 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.504 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 643' ' ' GLU . . . . . 0.44 ' HG3' HD12 ' A' ' 647' ' ' ILE . 13.4 tp10 -64.89 -47.99 75.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 644' ' ' GLU . . . . . 0.701 ' HA ' HD13 ' A' ' 647' ' ' ILE . 4.3 tt0 -62.54 -35.39 79.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.42 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 15.0 mmtt -59.69 -49.21 78.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.758 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -44.76 95.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 644' ' ' GLU . 3.9 mt -64.16 -40.95 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 111.179 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 648' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 0.0 OUTLIER -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.745 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -40.46 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.7 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.76 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.723 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.7 HD22 ' HG ' ' B' ' 651' ' ' LEU . 11.6 tp -65.28 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD13 ' C' ' 651' ' ' LEU . 0.4 OUTLIER -62.83 -38.03 89.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 653' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 653' ' ' MET . 0.4 OUTLIER -59.99 -42.43 94.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.763 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.13 85.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.494 HG21 HG23 ' B' ' 655' ' ' VAL . 78.7 t -62.58 -44.54 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.24 -179.548 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.91 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.79 83.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.725 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . 0.612 HG23 HG23 ' C' ' 658' ' ' ILE . 17.1 mt -65.47 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.632 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.629 ' HG2' ' NE2' ' A' ' 663' ' ' GLN . 10.6 tttm -64.19 -44.2 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.767 0.318 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.755 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.99 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.308 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.44 HD11 HG21 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -69.48 -28.49 66.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.592 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 663' ' ' GLN . . . . . 0.629 ' NE2' ' HG2' ' A' ' 659' ' ' LYS . 13.9 mt-30 -80.11 -33.29 38.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.781 0.324 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -65.96 -44.21 85.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.49 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.91 77.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.407 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 44.6 t -67.24 -33.17 61.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -38.37 82.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 111.8 179.62 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 611' ' ' GLU . . . . . 0.717 ' O ' HG22 ' B' ' 614' ' ' THR . 1.6 mt-10 -64.79 -38.9 92.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.438 179.427 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 612' ' ' LEU . . . . . 0.638 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 0.9 OUTLIER -67.77 -40.61 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.091 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 613' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' B' ' 613' ' ' ARG . 6.8 mtt180 -54.64 -46.63 73.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 614' ' ' THR . . . . . 0.717 HG22 ' O ' ' B' ' 611' ' ' GLU . 6.9 t -70.46 -25.78 63.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.607 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.8 -47.19 63.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 111.144 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.81 -39.91 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -58.71 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.33 -179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 618' ' ' GLU . . . . . 0.439 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.9 tp10 -63.28 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.982 179.631 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 619' ' ' LEU . . . . . 0.721 ' HA ' HD12 ' B' ' 622' ' ' ILE . 2.4 mt -61.43 -45.9 92.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.723 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 620' ' ' ARG . . . . . 0.607 ' HG3' HD22 ' A' ' 619' ' ' LEU . 1.3 mtm105 -61.29 -37.43 83.15 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.13 -34.99 79.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 622' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 619' ' ' LEU . 26.5 mt -60.95 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.654 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 623' ' ' ILE . . . . . 0.525 HD11 HG12 ' A' ' 623' ' ' ILE . 1.0 OUTLIER -63.97 -33.28 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.194 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.15 -44.26 84.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.262 -179.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -42.46 74.31 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.007 179.779 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 626' ' ' MET . . . . . 0.451 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 15.0 mtt -62.7 -40.62 97.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.796 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 627' ' ' LYS . . . . . 0.451 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 1.4 tmtm? -67.48 -37.87 83.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.063 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -67.94 -39.3 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -42.68 85.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 630' ' ' GLN . . . . . 0.418 ' O ' HG13 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -67.63 -32.87 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.755 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.27 -41.24 81.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.2 -40.05 93.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.988 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.92 -42.06 95.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.054 0.454 . . . . 0.0 111.859 -178.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 634' ' ' ILE . . . . . 0.502 HG22 HD13 ' A' ' 637' ' ' LEU . 97.9 mt -65.36 -42.13 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.9 91.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.448 -179.525 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.77 76.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.957 179.803 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 637' ' ' LEU . . . . . 0.555 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.2 OUTLIER -63.28 -44.57 94.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.753 179.596 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 638' ' ' LEU . . . . . 0.562 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 1.3 mt -61.74 -36.55 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -41.97 98.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 640' ' ' GLU . . . . . 0.424 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.5 tt0 -65.07 -45.09 86.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -40.86 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.787 179.591 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.45 -38.59 90.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.468 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 643' ' ' GLU . . . . . 0.452 ' HG3' HD12 ' B' ' 647' ' ' ILE . 13.4 tp10 -64.88 -48.04 75.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.251 179.24 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 644' ' ' GLU . . . . . 0.694 ' HA ' HD13 ' B' ' 647' ' ' ILE . 4.3 tt0 -62.42 -35.52 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 645' ' ' LYS . . . . . 0.437 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 15.0 mmtt -59.61 -49.3 78.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -44.8 94.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 647' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' B' ' 644' ' ' GLU . 3.9 mt -64.18 -40.98 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.039 0.447 . . . . 0.0 111.189 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 648' ' ' ARG . . . . . 0.572 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.0 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.68 -35.8 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . 0.7 ' HG ' HD22 ' A' ' 651' ' ' LEU . 11.7 tp -65.23 -38.67 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.745 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 652' ' ' GLN . . . . . 0.609 ' HA ' HD13 ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.7 -38.18 89.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.144 -179.818 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 653' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' B' ' 653' ' ' MET . 0.4 OUTLIER -59.86 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 111.282 -179.684 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.0 85.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.527 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 655' ' ' VAL . . . . . 0.494 HG23 HG21 ' A' ' 655' ' ' VAL . 82.0 t -62.66 -44.6 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.53 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.77 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.34 -45.7 83.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.674 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 658' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 658' ' ' ILE . 17.3 mt -65.54 -39.12 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.609 -179.631 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 659' ' ' LYS . . . . . 0.626 ' HG2' ' NE2' ' B' ' 663' ' ' GLN . 10.6 tttm -64.17 -44.24 92.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -48.44 81.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.87 76.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . 0.437 HD11 HG21 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.525 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 663' ' ' GLN . . . . . 0.626 ' NE2' ' HG2' ' B' ' 659' ' ' LYS . 14.1 mt-30 -80.06 -33.32 39.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.832 0.349 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -65.97 -44.15 85.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.48 81.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.9 77.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.438 -179.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 44.6 t -67.24 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.629 -179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -38.37 82.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 111.782 179.637 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . 0.716 ' O ' HG22 ' C' ' 614' ' ' THR . 1.6 mt-10 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.424 179.454 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . 0.638 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.76 -40.63 84.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.078 -179.759 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 613' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' C' ' 613' ' ' ARG . 6.8 mtt180 -54.58 -46.73 73.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 614' ' ' THR . . . . . 0.716 HG22 ' O ' ' C' ' 611' ' ' GLU . 7.0 t -70.33 -25.86 63.5 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.81 -47.1 64.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.208 -179.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.92 -39.79 86.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.73 -52.88 63.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.393 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 618' ' ' GLU . . . . . 0.443 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.9 tp10 -63.35 -33.53 75.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.009 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 619' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' C' ' 622' ' ' ILE . 2.3 mt -61.45 -45.89 92.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 620' ' ' ARG . . . . . 0.601 ' HG3' HD22 ' B' ' 619' ' ' LEU . 1.4 mtm105 -61.3 -37.33 82.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.22 -34.99 79.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.618 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 622' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' C' ' 619' ' ' LEU . 26.4 mt -60.93 -47.85 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.664 -179.726 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 623' ' ' ILE . . . . . 0.532 HG12 HD11 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -63.94 -33.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.03 -44.33 84.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.288 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -42.46 74.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.939 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 626' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 14.9 mtt -62.64 -40.69 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.809 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 627' ' ' LYS . . . . . 0.451 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 1.4 tmtm? -67.5 -37.85 83.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.0 -39.18 83.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.022 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.73 85.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.784 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 630' ' ' GLN . . . . . 0.423 ' O ' HG13 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -67.6 -32.9 73.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.746 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -68.2 -41.28 81.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.953 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.93 -42.08 94.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.097 0.475 . . . . 0.0 111.871 -178.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 634' ' ' ILE . . . . . 0.505 HG22 HD13 ' B' ' 637' ' ' LEU . 97.9 mt -65.37 -42.13 92.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.073 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 635' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -62.42 -45.92 90.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.441 -179.527 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -36.84 76.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 637' ' ' LEU . . . . . 0.558 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.2 OUTLIER -63.19 -44.65 94.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.802 179.582 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 638' ' ' LEU . . . . . 0.555 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 1.3 mt -61.67 -36.64 81.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.694 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.747 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 640' ' ' GLU . . . . . 0.42 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 31.4 tt0 -65.05 -45.08 86.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.069 0.461 . . . . 0.0 110.926 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -40.83 90.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.805 179.529 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.47 -38.59 90.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.512 -179.382 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 643' ' ' GLU . . . . . 0.447 ' HG3' HD12 ' C' ' 647' ' ' ILE . 13.4 tp10 -64.87 -48.1 75.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.22 179.252 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 644' ' ' GLU . . . . . 0.719 ' HA ' HD13 ' C' ' 647' ' ' ILE . 4.4 tt0 -62.44 -35.47 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.789 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 645' ' ' LYS . . . . . 0.424 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 15.0 mmtt -59.64 -49.3 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -44.86 94.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 647' ' ' ILE . . . . . 0.719 HD13 ' HA ' ' C' ' 644' ' ' GLU . 3.9 mt -64.21 -40.88 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.034 0.445 . . . . 0.0 111.225 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 648' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.0 OUTLIER -62.5 -42.4 99.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.041 -179.867 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -40.44 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.79 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.711 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.689 HD22 ' HG ' ' A' ' 651' ' ' LEU . 11.7 tp -65.23 -38.71 91.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 652' ' ' GLN . . . . . 0.635 ' HA ' HD13 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -62.69 -38.14 89.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.231 -179.868 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 653' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' C' ' 653' ' ' MET . 0.4 OUTLIER -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.279 -179.779 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.01 85.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.561 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 655' ' ' VAL . . . . . 0.488 HG23 HG21 ' B' ' 655' ' ' VAL . 80.9 t -62.63 -44.55 99.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.558 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.88 -34.8 78.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.78 83.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 658' ' ' ILE . . . . . 0.612 HG23 HG23 ' A' ' 658' ' ' ILE . 17.2 mt -65.48 -39.09 84.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.678 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 659' ' ' LYS . . . . . 0.627 ' HG2' ' NE2' ' C' ' 663' ' ' GLN . 10.6 tttm -64.26 -44.18 92.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -48.56 80.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.92 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 662' ' ' LEU . . . . . 0.445 HD11 HG21 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -69.55 -28.43 65.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.593 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 663' ' ' GLN . . . . . 0.627 ' NE2' ' HG2' ' C' ' 659' ' ' LYS . 13.9 mt-30 -80.12 -33.25 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.57 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.062 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.88 151.08 26.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 0.0 110.696 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.687 ' HA ' ' HA ' ' B' ' 611' ' ' GLU . 1.6 ttt 57.76 39.82 26.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.604 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -113.42 140.51 48.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.701 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.51 ' HA2' ' HG3' ' A' ' 598' ' ' LYS . . . -164.84 -1.62 0.04 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.778 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 2.3 tttp -70.04 -45.29 22.29 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 596' ' ' LYS . 93.2 Cg_endo -86.94 5.21 5.89 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.554 2.169 . . . . 0.0 113.002 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.51 ' HG3' ' HA2' ' A' ' 595' ' ' GLY . 0.1 OUTLIER -143.45 112.08 6.45 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.069 0.462 . . . . 0.0 111.406 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.1 51.03 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.607 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' B' ' 606' ' ' GLN . 6.5 mt-10 -145.41 148.07 36.0 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.984 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.788 ' HD3' ' HA ' ' B' ' 603' ' ' ALA . 67.3 Cg_endo -73.56 156.43 49.56 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.476 2.117 . . . . 0.0 112.407 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -136.07 168.76 18.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.445 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.795 ' HA ' ' HD3' ' C' ' 601' ' ' PRO . . . -67.31 158.17 32.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.67 31.83 3.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.617 ' HB2' ' HA ' ' C' ' 601' ' ' PRO . 0.5 OUTLIER -68.38 -38.39 81.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.858 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.61 ' O ' HG22 ' A' ' 609' ' ' VAL . 12.0 pt20 -72.36 -37.59 68.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.66 -37.56 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.818 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.48 91.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.422 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 606' ' ' GLN . 2.6 m -67.5 -39.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.16 -37.57 85.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 111.756 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.685 ' HA ' ' HA ' ' C' ' 593' ' ' MET . 2.5 mt-10 -72.68 -39.52 67.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' C' ' 612' ' ' LEU . 0.6 OUTLIER -67.84 -35.21 78.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.101 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.673 ' O ' ' HD2' ' A' ' 617' ' ' ARG . 2.9 mtt-85 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.025 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.43 -42.24 98.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.645 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.422 ' HB3' HG13 ' B' ' 616' ' ' VAL . 35.2 mt-30 -65.97 -37.37 85.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.63 ' HA ' HD13 ' A' ' 619' ' ' LEU . 1.0 OUTLIER -61.23 -45.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.673 ' HD2' ' O ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.69 -39.97 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.336 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.8 tp10 -60.06 -34.45 73.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 616' ' ' VAL . 10.7 mt -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.99 -36.32 76.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.41 -36.08 76.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 619' ' ' LEU . 54.2 mt -64.28 -43.02 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.623 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.575 HG21 HG22 ' C' ' 622' ' ' ILE . 16.4 mt -64.88 -41.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.33 71.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.238 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.407 HG21 ' NE2' ' A' ' 629' ' ' GLN . 2.2 m -62.21 -40.87 97.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.484 ' O ' ' HD3' ' A' ' 631' ' ' LYS . 39.0 tttp -65.0 -37.57 88.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -41.54 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.437 ' HB3' ' HZ2' ' B' ' 631' ' ' LYS . 1.4 mp0 -63.4 -46.82 84.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.547 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.0 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 -179.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.654 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 0.3 OUTLIER -65.15 -37.89 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.79 -47.53 84.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.964 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.685 ' HB3' HG23 ' B' ' 634' ' ' ILE . 8.1 mm-40 -60.17 -37.27 79.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.052 0.453 . . . . 0.0 111.872 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' C' ' 633' ' ' GLU . 11.4 mt -63.9 -40.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.069 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 1.1 mpmm? -63.1 -42.98 99.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.26 90.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.16 -44.2 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.4 ' CD2' ' HG ' ' C' ' 637' ' ' LEU . 11.9 mt -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.29 -40.12 93.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.8 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.77 -42.57 95.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.985 0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -33.29 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.788 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . 0.583 ' O ' ' HD2' ' A' ' 646' ' ' LYS . 14.3 m-20 -65.66 -49.13 69.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.565 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.487 ' HA ' ' HD2' ' A' ' 646' ' ' LYS . 3.3 mm-40 -63.36 -37.2 86.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.212 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -41.11 97.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -64.51 -34.18 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.583 ' HD2' ' O ' ' A' ' 642' ' ' ASP . 2.6 mttt -61.74 -41.65 97.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.28 -42.13 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.151 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 2.1 ttp-105 -61.19 -42.67 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 21.8 mt -59.12 -41.01 87.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 20.3 mtm180 -66.09 -37.57 86.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.462 ' HB2' HE21 ' B' ' 652' ' ' GLN . 26.9 tp -66.76 -36.94 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.464 HE21 ' HB2' ' C' ' 651' ' ' LEU . 4.1 mt-30 -62.06 -40.56 96.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 15.9 mtt -66.45 -38.69 87.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.267 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.74 -41.74 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.95 -33.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 111.247 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 48.5 m-20 -59.86 -38.55 82.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.51 -41.48 79.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.768 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.542 HG22 HD11 ' C' ' 658' ' ' ILE . 93.7 mt -67.08 -36.55 77.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.64 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.482 ' HE3' HD12 ' C' ' 658' ' ' ILE . 0.0 OUTLIER -65.94 -40.85 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.749 0.309 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 3.9 mtpt -55.77 -51.22 68.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.925 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.5 72.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.306 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -29.23 69.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.492 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.96 -22.18 23.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.42 146.97 48.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.512 ' HG2' ' OXT' ' A' ' 665' ' ' LYS . 8.4 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.647 -0.181 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.89 151.1 26.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.999 0.428 . . . . 0.0 110.621 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.674 ' HA ' ' HA ' ' C' ' 611' ' ' GLU . 1.6 ttt 57.77 39.79 26.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.57 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -113.35 140.51 47.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.783 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . 0.507 ' HA2' ' HG3' ' B' ' 598' ' ' LYS . . . -164.83 -1.64 0.04 OUTLIER Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.782 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' B' ' 597' ' ' PRO . 2.3 tttp -70.12 -45.23 21.67 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.626 -0.138 . . . . 0.0 110.626 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' B' ' 596' ' ' LYS . 92.7 Cg_endo -86.95 5.28 5.86 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.56 2.173 . . . . 0.0 113.035 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.507 ' HG3' ' HA2' ' B' ' 595' ' ' GLY . 0.1 OUTLIER -143.5 112.1 6.44 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.065 0.46 . . . . 0.0 111.405 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.11 50.93 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.583 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' C' ' 606' ' ' GLN . 6.5 mt-10 -145.38 148.06 36.06 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.816 ' HD3' ' HA ' ' C' ' 603' ' ' ALA . 67.6 Cg_endo -73.5 156.43 49.85 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.444 2.096 . . . . 0.0 112.451 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -136.07 168.75 18.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.788 ' HA ' ' HD3' ' A' ' 601' ' ' PRO . . . -67.32 158.17 32.21 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.365 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.7 31.83 3.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.624 ' HB2' ' HA ' ' A' ' 601' ' ' PRO . 0.5 OUTLIER -68.4 -38.34 81.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.911 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.602 ' O ' HG22 ' B' ' 609' ' ' VAL . 12.1 pt20 -72.29 -37.75 68.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.45 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.45 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.602 HG22 ' O ' ' B' ' 606' ' ' GLN . 2.6 m -67.54 -39.9 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.21 -37.58 85.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.103 0.478 . . . . 0.0 111.725 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.687 ' HA ' ' HA ' ' A' ' 593' ' ' MET . 2.5 mt-10 -72.65 -39.51 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.94 -35.09 77.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.078 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.673 ' O ' ' HD2' ' B' ' 617' ' ' ARG . 2.9 mtt-85 -62.25 -41.09 98.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.8 m -61.49 -42.22 98.46 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.664 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.425 ' HB3' HG13 ' C' ' 616' ' ' VAL . 35.2 mt-30 -66.01 -37.35 85.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.156 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.607 ' HA ' HD13 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -61.16 -45.65 98.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.673 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -67.72 -39.88 84.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.325 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.8 tp10 -60.13 -34.45 73.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' B' ' 616' ' ' VAL . 10.6 mt -65.98 -44.33 85.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.91 -36.25 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.0 p -69.43 -36.06 76.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' B' ' 619' ' ' LEU . 54.0 mt -64.4 -42.95 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.644 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.564 HG21 HG22 ' A' ' 622' ' ' ILE . 16.4 mt -64.91 -41.16 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -50.35 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 625' ' ' THR . . . . . 0.407 HG21 ' NE2' ' B' ' 629' ' ' GLN . 2.3 m -62.25 -40.76 97.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.6 90.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' B' ' 631' ' ' LYS . 39.1 tttp -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -41.47 81.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.43 ' HB3' ' HZ2' ' C' ' 631' ' ' LYS . 1.4 mp0 -63.49 -46.77 84.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.55 ' HG2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.04 -37.76 88.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.0 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.646 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 0.3 OUTLIER -65.18 -37.86 88.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.77 -47.51 84.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.958 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.707 ' HB3' HG23 ' C' ' 634' ' ' ILE . 8.1 mm-40 -60.11 -37.37 79.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.126 0.488 . . . . 0.0 111.888 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.685 HG23 ' HB3' ' A' ' 633' ' ' GLU . 11.4 mt -63.85 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.119 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.646 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -43.01 99.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.442 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -38.26 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 637' ' ' LEU . 0.8 OUTLIER -64.13 -44.25 92.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.55 -36.04 82.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.27 -40.11 93.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.801 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.73 -42.55 95.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.401 ' O ' ' HD3' ' B' ' 645' ' ' LYS . 0.3 OUTLIER -64.6 -33.3 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.751 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . 0.582 ' O ' ' HD2' ' B' ' 646' ' ' LYS . 14.3 m-20 -65.71 -49.19 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.463 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.498 ' HA ' ' HD2' ' B' ' 646' ' ' LYS . 3.3 mm-40 -63.28 -37.25 86.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.238 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -41.06 97.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' B' ' 641' ' ' LEU . 4.2 mtpt -64.55 -34.13 77.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.582 ' HD2' ' O ' ' B' ' 642' ' ' ASP . 2.6 mttt -61.67 -41.79 98.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.272 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.13 -42.19 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 111.219 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 2.2 ttp-105 -61.18 -42.71 99.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.97 -41.06 86.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 20.3 mtm180 -66.15 -37.55 85.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.465 ' HB2' HE21 ' C' ' 652' ' ' GLN . 26.7 tp -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.462 HE21 ' HB2' ' A' ' 651' ' ' LEU . 4.1 mt-30 -62.13 -40.58 96.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.157 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.41 -38.65 87.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 111.291 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.78 -41.67 98.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.99 -33.87 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 111.203 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . 0.407 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 49.1 m-20 -59.81 -38.54 82.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.56 -41.38 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.532 HG22 HD11 ' A' ' 658' ' ' ILE . 93.4 mt -67.09 -36.6 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.676 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.484 ' HE3' HD12 ' A' ' 658' ' ' ILE . 0.0 OUTLIER -65.89 -40.88 91.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.049 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 3.9 mtpt -55.79 -51.2 68.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.59 72.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.444 ' HA ' HD21 ' B' ' 662' ' ' LEU . 0.2 OUTLIER -66.14 -29.23 69.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.491 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.94 -22.23 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.32 146.91 48.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.498 ' OXT' ' HG2' ' B' ' 665' ' ' LYS . 8.4 tttt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.88 151.09 26.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.64 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.685 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 1.6 ttt 57.8 39.79 26.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.618 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.37 140.4 48.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.737 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . 0.491 ' HA2' ' HG3' ' C' ' 598' ' ' LYS . . . -164.76 -1.63 0.04 OUTLIER Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.736 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.508 ' N ' ' CD ' ' C' ' 597' ' ' PRO . 2.3 tttp -70.18 -45.11 21.19 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 110.591 -0.151 . . . . 0.0 110.591 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' C' ' 596' ' ' LYS . 92.4 Cg_endo -86.99 5.28 5.85 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.556 2.171 . . . . 0.0 113.022 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.491 ' HG3' ' HA2' ' C' ' 595' ' ' GLY . 0.1 OUTLIER -143.53 111.99 6.38 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.071 0.462 . . . . 0.0 111.462 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.01 50.95 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 606' ' ' GLN . 6.4 mt-10 -145.36 148.09 36.22 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.984 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.795 ' HD3' ' HA ' ' A' ' 603' ' ' ALA . 67.0 Cg_endo -73.57 156.4 49.54 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.502 2.135 . . . . 0.0 112.399 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -136.08 168.73 18.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.431 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.816 ' HA ' ' HD3' ' B' ' 601' ' ' PRO . . . -67.24 158.14 32.14 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.998 0.428 . . . . 0.0 111.337 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.66 31.87 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.646 ' HB2' ' HA ' ' B' ' 601' ' ' PRO . 0.5 OUTLIER -68.43 -38.36 81.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.896 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.603 ' O ' HG22 ' C' ' 609' ' ' VAL . 12.1 pt20 -72.29 -37.62 68.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.48 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.55 91.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.463 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.603 HG22 ' O ' ' C' ' 606' ' ' GLN . 2.6 m -67.44 -39.94 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.614 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.08 -37.69 85.98 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.182 0.515 . . . . 0.0 111.788 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.674 ' HA ' ' HA ' ' B' ' 593' ' ' MET . 2.5 mt-10 -72.6 -39.49 67.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.9 -35.17 78.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.084 -179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.676 ' O ' ' HD2' ' C' ' 617' ' ' ARG . 3.0 mtt-85 -62.12 -41.13 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.51 -42.24 98.51 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.633 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.401 ' HB3' HG13 ' A' ' 616' ' ' VAL . 35.2 mt-30 -65.92 -37.46 86.12 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 111.131 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.615 ' HA ' HD13 ' C' ' 619' ' ' LEU . 1.0 OUTLIER -61.12 -45.59 98.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.73 -39.94 84.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.334 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.8 tp10 -59.98 -34.51 73.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' C' ' 616' ' ' VAL . 10.7 mt -66.05 -44.26 85.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.9 -36.3 76.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.42 -36.07 76.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' C' ' 619' ' ' LEU . 53.8 mt -64.37 -42.99 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.585 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.567 HG21 HG22 ' B' ' 622' ' ' ILE . 16.6 mt -64.89 -41.17 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.204 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -50.35 71.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.244 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 625' ' ' THR . . . . . 0.4 HG21 ' NE2' ' C' ' 629' ' ' GLN . 2.2 m -62.24 -40.82 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.017 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.56 89.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' C' ' 631' ' ' LYS . 39.0 tttp -64.97 -37.46 87.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -41.46 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.425 ' HB3' ' HZ2' ' A' ' 631' ' ' LYS . 1.4 mp0 -63.51 -46.78 84.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.55 ' HB3' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -64.95 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.657 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 0.3 OUTLIER -65.1 -37.96 89.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.76 -47.45 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.013 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.694 ' HB3' HG23 ' A' ' 634' ' ' ILE . 8.1 mm-40 -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.074 0.464 . . . . 0.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.707 HG23 ' HB3' ' B' ' 633' ' ' GLU . 11.4 mt -63.8 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.09 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -42.94 99.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.479 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.2 90.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.946 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.514 ' HB3' ' CD2' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.2 -44.24 92.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.55 -36.1 82.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.22 -40.08 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.81 -42.61 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.006 0.432 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -64.51 -33.31 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.777 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . 0.592 ' O ' ' HD2' ' C' ' 646' ' ' LYS . 14.3 m-20 -65.7 -49.13 69.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.543 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.482 ' HA ' ' HD2' ' C' ' 646' ' ' LYS . 3.3 mm-40 -63.31 -37.26 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.216 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.07 97.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' C' ' 641' ' ' LEU . 4.2 mtpt -64.6 -34.14 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' C' ' 642' ' ' ASP . 2.6 mttt -61.77 -41.64 97.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 9.5 mt -69.16 -42.15 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.089 0.471 . . . . 0.0 111.209 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.406 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 2.2 ttp-105 -61.28 -42.63 98.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.08 -41.03 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.743 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 20.3 mtm180 -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.737 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.464 ' HB2' HE21 ' A' ' 652' ' ' GLN . 26.6 tp -66.75 -36.92 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.799 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.465 HE21 ' HB2' ' B' ' 651' ' ' LEU . 4.1 mt-30 -62.17 -40.43 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.184 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.55 -38.61 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.272 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.72 -41.71 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.0 -33.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.955 0.407 . . . . 0.0 111.175 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -59.88 -38.45 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.58 -41.46 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.542 HD11 HG22 ' A' ' 658' ' ' ILE . 93.6 mt -66.99 -36.67 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.604 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.465 ' HE3' HD12 ' B' ' 658' ' ' ILE . 0.0 OUTLIER -65.85 -40.85 92.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 111.072 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -55.84 -51.25 68.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.362 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -29.21 69.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -89.05 -22.13 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.41 146.97 48.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.505 ' HG2' ' OXT' ' C' ' 665' ' ' LYS . 8.3 tttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.772 ' H1 ' ' HB3' ' C' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 51.5 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.24 134.14 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.612 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.48 136.79 44.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.718 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.478 ' O ' ' HD3' ' A' ' 597' ' ' PRO . . . 95.67 -26.31 20.77 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.745 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 98.68 8.96 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 595' ' ' GLY . 92.4 Cg_endo -85.96 161.85 10.32 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.618 2.212 . . . . 0.0 112.94 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.528 ' HB3' ' HA ' ' C' ' 604' ' ' SER . 0.0 OUTLIER -151.88 126.33 9.41 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.068 0.461 . . . . 0.0 111.447 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.89 107.04 9.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.579 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 1.9 mp0 -132.65 -68.61 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.8 Cg_endo -75.15 145.32 30.79 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.42 2.08 . . . . 0.0 112.417 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -108.73 117.47 34.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.362 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -153.57 174.87 13.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.36 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' B' ' 598' ' ' LYS . 3.8 m -55.94 -48.62 75.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 30.1 t -59.57 -41.82 91.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.466 ' HA ' HG21 ' A' ' 609' ' ' VAL . 1.4 mm-40 -66.11 -35.67 81.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.78 ' HB3' ' H1 ' ' B' ' 591' ' ' GLY . . . -61.86 -40.04 93.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.73 99.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.491 HG12 HG23 ' C' ' 609' ' ' VAL . 0.5 OUTLIER -62.29 -32.19 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.551 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.74 -39.76 66.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.158 0.504 . . . . 0.0 111.8 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.74 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.47 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' B' ' 613' ' ' ARG . 0.8 OUTLIER -63.14 -40.33 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.705 ' HA ' HD23 ' C' ' 612' ' ' LEU . 3.3 ttm105 -60.47 -41.32 93.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -44.53 96.79 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.668 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -70.0 -41.27 74.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.72 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -45.09 94.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.3 tm-20 -68.51 -33.01 73.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.602 HD21 ' HG3' ' B' ' 620' ' ' ARG . 2.4 mt -66.41 -36.23 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.622 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.5 OUTLIER -63.36 -44.15 95.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.32 -33.43 75.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.546 HG21 ' SD ' ' A' ' 626' ' ' MET . 71.3 mt -66.39 -44.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.665 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 619' ' ' LEU . 5.4 mt -62.58 -42.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.216 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -49.25 77.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.29 -35.28 76.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.992 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.555 ' HG2' ' HG3' ' B' ' 627' ' ' LYS . 4.1 mtt -66.96 -37.18 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.558 ' HG3' ' HG2' ' C' ' 626' ' ' MET . 1.0 OUTLIER -68.81 -30.52 69.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.067 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -51.59 22.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.041 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.406 ' HG3' ' HZ1' ' B' ' 631' ' ' LYS . 28.8 tp60 -61.98 -36.5 81.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.609 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.83 -45.46 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.499 ' HE2' ' OE2' ' C' ' 633' ' ' GLU . 0.1 OUTLIER -67.45 -36.25 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -64.24 -47.45 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.985 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.555 ' HB3' HG21 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -59.91 -44.15 94.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 111.898 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' C' ' 633' ' ' GLU . 87.4 mt -63.13 -41.52 93.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.453 ' HA ' ' CE ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -60.28 -43.48 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.383 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.91 -39.91 87.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.528 HD11 HG23 ' B' ' 634' ' ' ILE . 2.5 mt -62.8 -35.27 79.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -46.42 79.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -39.12 91.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.756 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -43.31 98.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.007 0.432 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.422 HD22 ' HE2' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.809 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.27 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.476 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.435 ' HG2' HD11 ' A' ' 647' ' ' ILE . 53.9 tt0 -65.35 -42.59 92.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.4 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.422 ' HE2' HD22 ' A' ' 641' ' ' LEU . 43.4 mttm -61.22 -44.39 97.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.435 HD11 ' HG2' ' A' ' 643' ' ' GLU . 7.7 mt -66.81 -41.93 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 111.279 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 648' ' ' ARG . 0.9 OUTLIER -66.53 -36.52 82.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.017 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.55 -43.86 96.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.18 -33.35 75.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.68 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.531 HD23 HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -62.32 -46.59 88.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.94 79.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.19 -43.13 96.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.332 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.64 -45.0 95.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.561 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 658' ' ' ILE . 16.2 t -61.2 -35.08 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.405 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 2.4 t30 -65.14 -41.62 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.12 -49.72 73.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.733 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.653 ' HB ' ' HZ3' ' B' ' 659' ' ' LYS . 4.9 tt -64.16 -38.94 83.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.674 ' HZ3' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -63.23 -37.78 88.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.096 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 0.3 OUTLIER -64.08 -35.64 81.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 665' ' ' LYS . . . -75.99 -43.37 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -35.92 80.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.51 -27.98 41.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -54.22 19.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 661' ' ' ALA . 35.8 pttt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.78 ' H1 ' ' HB3' ' A' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.71 51.56 1.73 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.89 0.376 . . . . 0.0 110.622 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.2 134.2 46.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.558 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.55 136.77 44.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . 0.467 ' O ' ' HD3' ' B' ' 597' ' ' PRO . . . 95.7 -26.25 21.09 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.734 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.09 98.75 9.23 Favored Pre-proline 0 CA--C 1.531 0.25 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' B' ' 595' ' ' GLY . 93.5 Cg_endo -86.0 161.86 10.26 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.573 2.182 . . . . 0.0 112.954 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 604' ' ' SER . 0.0 OUTLIER -151.85 126.33 9.43 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.042 0.448 . . . . 0.0 111.426 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.89 107.04 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.52 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 1.9 mp0 -132.67 -68.52 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.948 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.8 Cg_endo -75.17 145.3 30.71 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.427 2.084 . . . . 0.0 112.396 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -108.65 117.44 34.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.361 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -153.52 174.9 13.82 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.329 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.521 ' HA ' ' HB3' ' C' ' 598' ' ' LYS . 3.9 m -56.04 -48.51 75.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.1 t -59.64 -41.72 91.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.483 ' HA ' HG21 ' B' ' 609' ' ' VAL . 1.4 mm-40 -66.23 -35.63 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.783 ' HB3' ' H1 ' ' C' ' 591' ' ' GLY . . . -61.83 -40.09 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.7 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' B' ' 606' ' ' GLN . 0.5 OUTLIER -62.31 -32.14 53.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.71 -39.85 66.64 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.2 0.524 . . . . 0.0 111.775 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -44.72 95.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.485 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.73 HD23 ' HA ' ' C' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.36 97.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.705 ' HA ' HD23 ' A' ' 612' ' ' LEU . 3.3 ttm105 -60.35 -41.3 93.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -44.64 96.56 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.6 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.92 -41.28 74.84 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.997 0.427 . . . . 0.0 111.157 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.71 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -45.04 95.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.292 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.456 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.3 tm-20 -68.7 -32.88 73.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.618 HD21 ' HG3' ' C' ' 620' ' ' ARG . 2.4 mt -66.4 -36.3 82.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.602 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.5 OUTLIER -63.4 -44.13 95.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.2 p -65.28 -33.44 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.547 HG21 ' SD ' ' B' ' 626' ' ' MET . 71.2 mt -66.22 -45.11 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 111.617 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 619' ' ' LEU . 5.3 mt -62.47 -42.66 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.231 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -49.18 77.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.3 -35.29 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.556 ' HG2' ' HG3' ' C' ' 627' ' ' LYS . 4.1 mtt -67.04 -37.05 83.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.555 ' HG3' ' HG2' ' A' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.49 69.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -51.6 22.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.411 ' HG3' ' HZ1' ' C' ' 631' ' ' LYS . 28.9 tp60 -62.09 -36.4 81.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.84 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.609 ' HG2' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -66.91 -45.44 77.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.505 ' HE2' ' OE2' ' A' ' 633' ' ' GLU . 0.1 OUTLIER -67.47 -36.26 80.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -47.46 79.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.561 ' HB3' HG21 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -59.87 -44.28 94.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 0.0 111.879 -178.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 633' ' ' GLU . 86.9 mt -63.05 -41.55 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.124 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -60.25 -43.46 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.441 -179.52 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -40.0 87.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.943 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.52 HD11 HG23 ' C' ' 634' ' ' ILE . 2.5 mt -62.8 -35.22 79.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -46.52 79.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.19 91.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.776 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.3 98.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.427 HD22 ' HE2' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -66.71 -34.33 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.736 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.5 -42.24 98.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.52 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' B' ' 647' ' ' ILE . 53.8 tt0 -65.35 -42.65 92.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -42.34 92.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.427 ' HE2' HD22 ' B' ' 641' ' ' LEU . 43.4 mttm -61.15 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -43.53 98.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.427 HD11 ' HG2' ' B' ' 643' ' ' GLU . 7.8 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 111.196 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -36.4 82.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.96 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -64.13 -33.32 75.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.679 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.536 HD23 HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -62.4 -46.65 87.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.653 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -38.04 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.195 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.24 -43.07 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.6 -45.09 95.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.594 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.656 ' O ' HG22 ' B' ' 658' ' ' ILE . 16.1 t -61.11 -35.09 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.264 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . 0.407 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 2.4 t30 -65.1 -41.66 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.14 -49.65 73.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.761 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.656 HG22 ' O ' ' B' ' 655' ' ' VAL . 4.9 tt -64.25 -38.88 83.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.634 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.653 ' HZ3' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -63.31 -37.72 88.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.81 0.338 . . . . 0.0 111.046 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 0.3 OUTLIER -64.04 -35.71 81.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.71 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' B' ' 665' ' ' LYS . . . -76.01 -43.34 44.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -35.84 80.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.58 -28.0 41.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -54.25 19.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 661' ' ' ALA . 35.8 pttt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.783 ' H1 ' ' HB3' ' B' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 51.51 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.64 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.24 134.17 46.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.582 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.57 136.79 44.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.7 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . 0.478 ' O ' ' HD3' ' C' ' 597' ' ' PRO . . . 95.69 -26.28 20.93 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.731 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.03 98.63 8.94 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' C' ' 595' ' ' GLY . 92.8 Cg_endo -85.9 161.78 10.41 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.642 2.228 . . . . 0.0 113.038 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.521 ' HB3' ' HA ' ' B' ' 604' ' ' SER . 0.0 OUTLIER -151.81 126.38 9.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.99 0.424 . . . . 0.0 111.447 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.89 106.98 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.529 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 1.9 mp0 -132.58 -68.58 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.006 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.9 Cg_endo -75.15 145.33 30.81 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.417 2.078 . . . . 0.0 112.414 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -108.71 117.41 34.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.372 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -153.53 174.97 13.74 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.361 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.528 ' HA ' ' HB3' ' A' ' 598' ' ' LYS . 3.9 m -56.03 -48.56 75.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 30.2 t -59.66 -41.81 91.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.48 ' HA ' HG21 ' C' ' 609' ' ' VAL . 1.4 mm-40 -66.06 -35.71 81.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.772 ' HB3' ' H1 ' ' A' ' 591' ' ' GLY . . . -61.8 -40.12 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.84 99.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.451 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.491 HG23 HG12 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -62.23 -32.13 53.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.647 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.72 -39.79 66.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 111.837 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.74 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.451 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' A' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.38 97.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.09 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.73 ' HA ' HD23 ' B' ' 612' ' ' LEU . 3.3 ttm105 -60.41 -41.34 93.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.55 96.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.583 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.97 -41.29 74.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.165 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.76 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.09 94.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.289 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.442 ' O ' HG13 ' C' ' 622' ' ' ILE . 1.3 tm-20 -68.49 -33.02 73.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.622 HD21 ' HG3' ' A' ' 620' ' ' ARG . 2.4 mt -66.4 -36.23 82.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.019 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.618 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.5 OUTLIER -63.46 -44.08 95.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.26 -33.43 75.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.544 HG21 ' SD ' ' C' ' 626' ' ' MET . 71.0 mt -66.36 -45.02 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.031 0.443 . . . . 0.0 111.618 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 619' ' ' LEU . 5.3 mt -62.4 -42.76 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -49.2 77.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.258 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 20.6 m -61.28 -35.29 76.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.978 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.558 ' HG2' ' HG3' ' A' ' 627' ' ' LYS . 4.1 mtt -66.99 -37.09 83.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.556 ' HG3' ' HG2' ' B' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.48 69.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -51.54 23.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.403 ' HG3' ' HZ1' ' A' ' 631' ' ' LYS . 28.7 tp60 -62.06 -36.47 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.796 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.608 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.93 -45.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.507 ' HE2' ' OE2' ' B' ' 633' ' ' GLU . 0.1 OUTLIER -67.48 -36.28 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.4 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.023 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.568 ' HB3' HG21 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -59.89 -44.28 94.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 111.853 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.561 HG21 ' HB3' ' B' ' 633' ' ' GLU . 87.1 mt -63.04 -41.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.136 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -60.2 -43.49 95.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.476 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -39.99 87.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.005 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.534 HD11 HG23 ' A' ' 634' ' ' ILE . 2.5 mt -62.75 -35.21 79.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.753 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -46.52 79.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.07 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -43.35 97.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.423 HD22 ' HE2' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -66.51 -34.41 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.425 ' HG2' HD11 ' C' ' 647' ' ' ILE . 53.9 tt0 -65.25 -42.7 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.26 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -42.45 92.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.423 ' HE2' HD22 ' C' ' 641' ' ' LEU . 43.5 mttm -61.15 -44.45 97.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.29 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.425 HD11 ' HG2' ' C' ' 643' ' ' GLU . 7.7 mt -66.86 -42.0 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.059 0.457 . . . . 0.0 111.208 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.52 -36.45 82.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.065 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.92 96.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.13 -33.3 75.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.547 HD23 HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -62.39 -46.63 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.689 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.93 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.16 -43.15 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 111.33 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.63 -45.04 95.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.651 ' O ' HG22 ' C' ' 658' ' ' ILE . 16.1 t -61.18 -35.02 62.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.027 0.442 . . . . 0.0 111.25 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' C' ' 660' ' ' LYS . 2.4 t30 -65.11 -41.71 94.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.19 -49.62 73.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.734 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.674 ' HB ' ' HZ3' ' A' ' 659' ' ' LYS . 5.0 tt -64.21 -38.88 83.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.695 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.645 ' HZ3' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -63.32 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' C' ' 656' ' ' ASN . 0.3 OUTLIER -64.1 -35.58 81.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -75.99 -43.42 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -35.82 80.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.548 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.54 -28.03 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -54.19 19.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 35.7 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.06 149.28 27.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.618 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.475 ' SD ' HG21 ' B' ' 614' ' ' THR . 0.0 OUTLIER 54.72 44.38 28.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.603 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -106.81 144.19 33.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.678 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -147.87 -25.65 0.08 OUTLIER Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.707 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.2 OUTLIER -65.08 -48.61 70.16 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.57 -0.159 . . . . 0.0 110.57 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 596' ' ' LYS . 92.7 Cg_endo -83.3 -7.39 10.92 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.614 2.209 . . . . 0.0 113.001 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.97 84.72 2.14 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.05 0.453 . . . . 0.0 111.432 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.76 5.76 36.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.559 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -110.13 147.9 37.22 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.987 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.444 ' HA ' ' H ' ' B' ' 605' ' ' SER . 67.3 Cg_endo -72.55 145.46 42.16 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.382 2.055 . . . . 0.0 112.42 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.55 158.92 18.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.391 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -70.88 153.71 42.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.291 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.93 37.64 0.38 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.527 ' O ' HG21 ' A' ' 609' ' ' VAL . 0.4 OUTLIER -66.66 -38.78 87.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.851 -179.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.506 ' O ' HG22 ' A' ' 609' ' ' VAL . 8.4 pt20 -64.45 -34.31 77.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.23 64.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.58 89.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.434 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 605' ' ' SER . 4.7 m -66.36 -41.73 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 5.8 tt0 -61.52 -38.39 87.2 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.763 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.53 ' HB2' HH22 ' B' ' 613' ' ' ARG . 10.2 mm-40 -67.66 -35.54 79.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' C' ' 612' ' ' LEU . 4.0 mt -70.23 -42.01 72.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.538 HH22 ' HB2' ' C' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.77 73.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.992 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.469 HG21 ' SD ' ' C' ' 593' ' ' MET . 8.8 m -57.77 -44.13 85.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.534 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -63.05 -35.84 81.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.149 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.37 -45.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -37.66 88.25 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 622' ' ' ILE . 14.8 tp10 -65.35 -35.58 81.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.71 HD12 HD11 ' B' ' 619' ' ' LEU . 33.5 mt -66.19 -42.03 89.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 620' ' ' ARG . 3.5 ttm180 -62.17 -40.16 95.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.44 78.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.658 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 618' ' ' GLU . 73.2 mt -61.45 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.605 HG12 HG12 ' B' ' 623' ' ' ILE . 4.9 mt -63.75 -41.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.198 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.56 98.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 47.0 m -66.14 -36.21 82.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.422 ' HE1' HG22 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -62.07 -44.23 97.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.71 -39.95 91.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.87 -43.99 97.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.027 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.68 71.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.723 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.595 ' HG2' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -60.23 -40.79 91.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -37.52 82.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -45.39 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.967 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.545 ' HB3' HG23 ' B' ' 634' ' ' ILE . 2.2 mt-10 -64.16 -46.3 84.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.457 . . . . 0.0 111.894 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.537 HG23 ' HB3' ' C' ' 633' ' ' GLU . 61.1 mt -57.39 -37.21 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.047 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.443 ' HA ' HD13 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.53 -40.7 93.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.455 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -38.77 89.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' B' ' 637' ' ' LEU . 3.5 mt -64.57 -42.86 95.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 635' ' ' LYS . 9.8 mt -61.91 -39.49 92.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -39.9 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.63 -38.51 87.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 0.0 110.825 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.541 HD13 HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -65.99 -35.89 81.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.794 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . 0.557 ' HA ' ' HD3' ' A' ' 645' ' ' LYS . 0.5 OUTLIER -63.55 -39.87 95.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.512 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 646' ' ' LYS . 20.0 mm-40 -65.08 -42.44 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.251 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.531 ' HA ' HD13 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.16 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.557 ' HD3' ' HA ' ' A' ' 642' ' ' ASP . 10.2 mtpt -65.62 -37.75 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mttt -63.08 -41.38 99.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 644' ' ' GLU . 4.9 mt -68.22 -43.78 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.084 0.468 . . . . 0.0 111.205 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.438 ' NE ' HG23 ' C' ' 647' ' ' ILE . 2.9 ttp-105 -64.98 -33.74 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.061 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -44.83 85.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.26 -37.04 85.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.789 HD23 ' HG2' ' B' ' 652' ' ' GLN . 27.9 tp -61.97 -40.2 94.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.808 ' HG2' HD23 ' C' ' 651' ' ' LEU . 3.3 mt-30 -59.08 -43.81 91.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.172 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.289 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.404 ' HG2' ' HE3' ' B' ' 659' ' ' LYS . 6.2 mt-10 -66.32 -40.99 90.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.468 HG22 HG11 ' B' ' 655' ' ' VAL . 12.4 t -65.73 -45.83 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 111.224 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.534 ' O ' ' HG3' ' A' ' 660' ' ' LYS . 97.9 m-20 -55.35 -34.37 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.469 ' HB3' ' HZ3' ' B' ' 659' ' ' LYS . 0.2 OUTLIER -64.56 -49.24 71.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.721 179.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.539 HG21 HG21 ' B' ' 658' ' ' ILE . 5.2 mt -64.74 -36.42 77.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.597 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.472 ' HZ3' ' HB3' ' C' ' 657' ' ' ASP . 4.3 ttmm -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 656' ' ' ASN . 43.3 mtpt -60.85 -43.41 98.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.553 ' HB3' HD12 ' B' ' 662' ' ' LEU . . . -66.25 -36.83 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.374 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' C' ' 661' ' ' ALA . 2.5 mm? -64.29 -38.2 90.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.07 -10.42 56.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p -79.45 153.41 29.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.101 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.05 149.24 27.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.353 . . . . 0.0 110.688 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.477 ' SD ' HG21 ' C' ' 614' ' ' THR . 0.0 OUTLIER 54.74 44.32 28.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.601 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -106.72 144.18 33.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.687 0.279 . . . . 0.0 110.692 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . -147.89 -25.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.785 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' B' ' 597' ' ' PRO . 0.2 OUTLIER -65.09 -48.6 70.12 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.639 -0.134 . . . . 0.0 110.639 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' B' ' 596' ' ' LYS . 92.8 Cg_endo -83.35 -7.3 10.89 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.597 2.198 . . . . 0.0 112.989 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.0 84.66 2.13 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.1 0.476 . . . . 0.0 111.425 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.7 5.74 36.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -110.17 147.94 37.32 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.966 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.448 ' HA ' ' H ' ' C' ' 605' ' ' SER . 67.6 Cg_endo -72.54 145.52 42.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.405 2.07 . . . . 0.0 112.398 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.6 158.91 18.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.376 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -70.84 153.66 42.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.95 37.67 0.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.525 ' O ' HG21 ' B' ' 609' ' ' VAL . 0.4 OUTLIER -66.66 -38.68 87.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.89 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.501 ' O ' HG22 ' B' ' 609' ' ' VAL . 8.4 pt20 -64.66 -34.22 77.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.97 -43.97 64.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.815 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.525 HG21 ' O ' ' B' ' 605' ' ' SER . 4.7 m -66.36 -41.8 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 5.8 tt0 -61.45 -38.4 87.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.104 0.478 . . . . 0.0 111.783 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.522 ' HB2' HH22 ' C' ' 613' ' ' ARG . 10.2 mm-40 -67.67 -35.49 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.399 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.532 ' HB3' HD21 ' A' ' 612' ' ' LEU . 4.0 mt -70.36 -41.96 72.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.834 0.35 . . . . 0.0 111.075 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.53 HH22 ' HB2' ' A' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.73 73.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.475 HG21 ' SD ' ' A' ' 593' ' ' MET . 8.7 m -57.74 -44.1 85.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.587 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -63.12 -35.78 81.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.184 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -37.71 88.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.618 ' O ' HG13 ' B' ' 622' ' ' ILE . 14.8 tp10 -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.723 HD12 HD11 ' C' ' 619' ' ' LEU . 33.4 mt -66.14 -42.14 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 620' ' ' ARG . 3.6 ttm180 -62.08 -40.12 94.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.71 -36.47 78.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 618' ' ' GLU . 72.9 mt -61.44 -48.49 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.605 HG12 HG12 ' A' ' 623' ' ' ILE . 4.9 mt -63.8 -41.77 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -43.59 98.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.275 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 46.8 m -66.15 -36.12 82.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.006 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.414 ' HE1' HG22 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -62.05 -44.21 97.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.93 -39.87 90.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.044 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.88 -43.98 97.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -44.67 71.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.599 ' HG2' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -60.15 -40.76 90.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.029 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.54 82.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.28 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.986 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.541 ' HB3' HG23 ' C' ' 634' ' ' ILE . 2.2 mt-10 -64.24 -46.26 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.087 0.47 . . . . 0.0 111.893 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 633' ' ' GLU . 60.4 mt -57.31 -37.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.453 ' HA ' HD13 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.5 -40.75 93.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.42 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.84 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.702 ' HB3' HD11 ' A' ' 637' ' ' LEU . 3.5 mt -64.49 -42.91 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -61.87 -39.48 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -39.89 86.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.823 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.66 -38.5 86.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.999 0.428 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.542 HD13 HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -65.92 -35.91 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.861 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' B' ' 645' ' ' LYS . 0.5 OUTLIER -63.48 -39.94 95.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.506 -179.456 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' B' ' 646' ' ' LYS . 20.0 mm-40 -65.14 -42.43 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.536 ' HA ' HD13 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.15 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.83 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' B' ' 642' ' ' ASP . 10.2 mtpt -65.64 -37.78 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.726 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' B' ' 643' ' ' GLU . 19.5 mttt -62.99 -41.5 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' B' ' 644' ' ' GLU . 5.0 mt -68.17 -43.78 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 111.234 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.437 ' NE ' HG23 ' A' ' 647' ' ' ILE . 2.9 ttp-105 -65.01 -33.68 76.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.077 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -44.79 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.24 -37.06 86.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.805 HD23 ' HG2' ' C' ' 652' ' ' GLN . 27.9 tp -62.0 -40.16 94.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.789 ' HG2' HD23 ' A' ' 651' ' ' LEU . 3.3 mt-30 -59.12 -43.84 91.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.084 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -36.13 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.276 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.417 ' HG2' ' HE3' ' C' ' 659' ' ' LYS . 6.3 mt-10 -66.22 -40.98 90.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 651' ' ' LEU . 12.8 t -65.91 -45.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' B' ' 660' ' ' LYS . 97.9 m-20 -55.26 -34.45 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . 0.471 ' HB3' ' HZ3' ' C' ' 659' ' ' LYS . 0.2 OUTLIER -64.55 -49.27 71.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 658' ' ' ILE . 5.2 mt -64.69 -36.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.688 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.469 ' HZ3' ' HB3' ' A' ' 657' ' ' ASP . 4.3 ttmm -67.08 -36.56 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.795 0.331 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' B' ' 656' ' ' ASN . 43.4 mtpt -60.8 -43.41 98.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' C' ' 662' ' ' LEU . . . -66.25 -36.86 84.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.31 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 661' ' ' ALA . 2.5 mm? -64.32 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -10.43 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.4 p -79.34 153.35 29.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.024 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.05 149.25 27.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 0.0 110.684 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.469 ' SD ' HG21 ' A' ' 614' ' ' THR . 0.0 OUTLIER 54.72 44.42 28.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.553 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -106.76 144.18 33.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.678 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . -147.9 -25.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.771 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.45 ' N ' ' CD ' ' C' ' 597' ' ' PRO . 0.2 OUTLIER -65.09 -48.67 69.87 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' C' ' 596' ' ' LYS . 92.9 Cg_endo -83.28 -7.36 10.94 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.593 2.195 . . . . 0.0 113.037 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.93 84.7 2.14 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.129 0.49 . . . . 0.0 111.499 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.74 5.74 36.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.511 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -110.14 147.98 37.38 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.446 ' HA ' ' H ' ' A' ' 605' ' ' SER . 67.0 Cg_endo -72.65 145.44 41.64 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.43 2.087 . . . . 0.0 112.429 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.51 158.95 18.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.388 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -70.95 153.74 42.41 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.31 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.86 37.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.522 ' O ' HG21 ' C' ' 609' ' ' VAL . 0.4 OUTLIER -66.63 -38.78 87.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.917 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.514 ' O ' HG22 ' C' ' 609' ' ' VAL . 8.4 pt20 -64.52 -34.35 78.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.04 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.54 89.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.418 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.522 HG21 ' O ' ' C' ' 605' ' ' SER . 4.7 m -66.33 -41.75 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 5.9 tt0 -61.58 -38.36 87.25 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.199 0.523 . . . . 0.0 111.751 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.538 ' HB2' HH22 ' A' ' 613' ' ' ARG . 10.2 mm-40 -67.63 -35.53 79.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 612' ' ' LEU . 4.0 mt -70.26 -41.97 72.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.125 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.522 HH22 ' HB2' ' B' ' 611' ' ' GLU . 6.4 mtt-85 -54.63 -44.83 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.477 HG21 ' SD ' ' B' ' 593' ' ' MET . 8.6 m -57.64 -44.06 85.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.702 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -63.2 -35.79 81.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 111.116 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 89.7 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -37.62 88.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.385 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.61 ' O ' HG13 ' C' ' 622' ' ' ILE . 14.8 tp10 -65.43 -35.52 81.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.723 HD11 HD12 ' B' ' 619' ' ' LEU . 33.2 mt -66.17 -42.06 89.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 620' ' ' ARG . 3.6 ttm180 -62.19 -40.12 95.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.5 78.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.61 HG13 ' O ' ' C' ' 618' ' ' GLU . 73.2 mt -61.42 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.637 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.605 HG12 HG12 ' B' ' 623' ' ' ILE . 4.8 mt -63.66 -41.88 94.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.23 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -43.66 98.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.3 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 46.5 m -66.06 -36.22 82.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -44.2 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.84 -39.82 91.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.9 -43.99 97.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -44.66 71.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.739 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.599 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -60.16 -40.84 91.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -37.46 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -45.34 94.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.88 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.537 ' HB3' HG23 ' A' ' 634' ' ' ILE . 2.2 mt-10 -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.894 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' B' ' 633' ' ' GLU . 60.7 mt -57.34 -37.27 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.118 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.43 -40.76 93.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.454 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -38.8 89.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.942 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.686 ' HB3' HD11 ' B' ' 637' ' ' LEU . 3.5 mt -64.54 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.79 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -61.89 -39.48 92.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -39.87 86.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.65 -38.48 86.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.542 HD13 HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -65.98 -35.88 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.808 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . 0.576 ' HA ' ' HD3' ' C' ' 645' ' ' LYS . 0.5 OUTLIER -63.58 -39.84 95.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.49 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.422 ' HA ' ' HE3' ' C' ' 646' ' ' LYS . 20.0 mm-40 -65.12 -42.46 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.253 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.553 ' HA ' HD13 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -61.72 -38.15 86.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.869 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' C' ' 642' ' ' ASP . 10.2 mtpt -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' C' ' 643' ' ' GLU . 19.5 mttt -63.14 -41.3 99.26 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' C' ' 644' ' ' GLU . 5.0 mt -68.29 -43.76 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.441 ' NE ' HG23 ' B' ' 647' ' ' ILE . 2.9 ttp-105 -65.04 -33.73 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -44.85 85.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 82.1 mtm-85 -65.25 -36.92 85.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.71 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.808 HD23 ' HG2' ' A' ' 652' ' ' GLN . 28.0 tp -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.805 ' HG2' HD23 ' B' ' 651' ' ' LEU . 3.4 mt-30 -59.11 -43.86 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -36.18 83.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.42 ' HG2' ' HE3' ' A' ' 659' ' ' LYS . 6.2 mt-10 -66.34 -40.97 90.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.469 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.464 HG23 ' O ' ' C' ' 651' ' ' LEU . 12.8 t -65.86 -45.76 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.218 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' C' ' 660' ' ' LYS . 97.9 m-20 -55.34 -34.37 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . 0.472 ' HB3' ' HZ3' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -64.5 -49.29 71.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.505 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 658' ' ' ILE . 5.2 mt -64.73 -36.32 77.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.717 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.471 ' HZ3' ' HB3' ' B' ' 657' ' ' ASP . 4.3 ttmm -67.12 -36.52 82.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' C' ' 656' ' ' ASN . 43.3 mtpt -60.84 -43.46 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . 0.569 ' HB3' HD12 ' A' ' 662' ' ' LEU . . . -66.12 -36.92 84.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.406 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' B' ' 661' ' ' ALA . 2.5 mm? -64.2 -38.27 90.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.04 -10.44 56.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p -79.35 153.39 29.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.062 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.735 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.5 48.43 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 10.2 ttp -131.54 129.71 41.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.582 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.469 ' HG2' ' OE1' ' C' ' 610' ' ' GLU . 3.4 mm-40 -76.43 131.38 39.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.76 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.4 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 111.39 -26.49 11.96 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.755 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.445 ' HZ2' ' HB3' ' A' ' 596' ' ' LYS . 0.0 OUTLIER -108.2 107.96 60.71 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.501 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.5 Cg_endo -85.94 159.22 10.24 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.609 2.206 . . . . 0.0 113.072 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.451 ' HB2' ' HB1' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -151.75 121.54 7.02 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.106 0.479 . . . . 0.0 111.453 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 22.8 mtm -136.97 104.44 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.625 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.683 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.2 OUTLIER -127.19 -57.5 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.976 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.683 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.5 Cg_endo -75.68 153.25 38.47 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.434 2.089 . . . . 0.0 112.38 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.9 109.94 20.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.448 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -150.63 178.84 8.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.329 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -54.22 48.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.0 t -58.1 -34.47 70.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.916 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.518 ' HB2' ' H ' ' A' ' 603' ' ' ALA . 4.2 mm-40 -67.59 -42.91 81.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' B' ' 598' ' ' LYS . . . -60.99 -43.9 98.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -60.59 -39.79 89.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.471 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 605' ' ' SER . 27.5 t -62.67 -39.52 85.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.472 ' OE1' ' HG2' ' B' ' 594' ' ' GLU . 4.1 mt-10 -63.9 -41.57 97.66 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.126 0.489 . . . . 0.0 111.796 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.488 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 3.2 tm-20 -63.18 -40.34 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.433 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 616' ' ' VAL . 11.0 mt -60.71 -44.09 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.404 ' HA ' HD23 ' C' ' 612' ' ' LEU . 3.9 ttm105 -59.26 -39.5 83.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -51.73 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.44 -35.8 81.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 111.127 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 612' ' ' LEU . 55.6 t -66.32 -50.28 69.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.379 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.403 ' HB3' HH22 ' B' ' 620' ' ' ARG . 0.2 OUTLIER -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.017 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' B' ' 620' ' ' ARG . 9.9 mt -70.57 -40.62 73.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.417 ' HA ' HD21 ' C' ' 619' ' ' LEU . 18.3 ttm-85 -63.83 -40.02 95.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.61 -42.29 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.659 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.557 ' O ' ' HG3' ' A' ' 626' ' ' MET . 11.9 mt -62.67 -43.14 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.592 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.424 ' CG2' ' SD ' ' C' ' 626' ' ' MET . 13.8 mt -60.77 -43.6 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -43.65 98.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -38.57 80.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 43.0 mtt -65.93 -38.48 88.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.45 ' HG3' ' HE3' ' C' ' 626' ' ' MET . 2.9 tmtm? -63.68 -45.15 91.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -66.96 -50.32 62.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -37.13 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.442 ' HZ3' ' HZ1' ' A' ' 627' ' ' LYS . 0.0 OUTLIER -62.02 -42.55 99.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.453 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mm-40 -65.84 -41.06 92.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.999 0.428 . . . . 0.0 111.809 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' C' ' 633' ' ' GLU . 39.9 mt -65.57 -41.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.121 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.82 99.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.512 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.4 mt -64.63 -43.45 93.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.515 ' HA ' HD21 ' C' ' 637' ' ' LEU . 0.2 OUTLIER -62.95 -44.64 95.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -45.49 94.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -40.37 96.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 645' ' ' LYS . 0.7 OUTLIER -62.92 -44.26 96.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.784 179.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . 0.48 ' HA ' ' HD2' ' A' ' 645' ' ' LYS . 0.9 OUTLIER -60.02 -41.54 92.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.509 -179.322 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -40.08 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.216 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.475 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.5 OUTLIER -63.72 -38.46 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.907 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 641' ' ' LEU . 15.7 mttm -61.44 -42.54 98.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.745 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -60.45 -44.95 95.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -179.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.431 HG12 HH21 ' A' ' 650' ' ' ARG . 3.5 mt -68.47 -42.47 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 111.185 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 4.5 ttm105 -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.038 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -43.01 99.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 13.3 mtm180 -63.34 -33.45 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.668 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -65.09 -44.3 89.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.785 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.621 ' HA ' HD23 ' C' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.63 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.171 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.34 97.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.308 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.71 -42.64 97.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.476 ' O ' HG22 ' A' ' 658' ' ' ILE . 23.0 t -64.19 -37.17 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.13 -40.98 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.45 -47.92 74.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.829 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.584 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 0.6 OUTLIER -65.51 -31.94 56.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.591 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -68.62 -39.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.56 -47.06 85.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.921 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.53 75.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.407 ' HG ' ' HZ2' ' C' ' 665' ' ' LYS . 1.1 tp -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -82.23 -27.51 32.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -52.58 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.711 ' OXT' ' HG3' ' A' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.731 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.45 48.42 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 10.2 ttp -131.52 129.62 41.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.647 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.472 ' HG2' ' OE1' ' A' ' 610' ' ' GLU . 3.4 mm-40 -76.39 131.37 39.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.745 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 111.39 -26.54 11.88 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.749 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.456 ' HB3' ' HZ2' ' B' ' 596' ' ' LYS . 0.0 OUTLIER -108.13 108.02 60.81 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.488 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 93.1 Cg_endo -86.03 159.32 10.12 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.548 2.165 . . . . 0.0 112.974 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.457 ' HB2' ' HB1' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -151.82 121.48 6.96 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.054 0.454 . . . . 0.0 111.388 -179.785 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 22.8 mtm -136.94 104.46 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.598 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.678 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -127.21 -57.48 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.933 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.678 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.9 Cg_endo -75.64 153.27 38.7 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.441 2.094 . . . . 0.0 112.419 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.92 109.88 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.35 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.735 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -150.63 178.86 8.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.338 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.45 -54.15 49.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.535 ' O ' HG23 ' B' ' 609' ' ' VAL . 22.9 t -58.17 -34.36 70.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.892 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.515 ' HB2' ' H ' ' B' ' 603' ' ' ALA . 4.2 mm-40 -67.74 -42.86 81.19 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' C' ' 598' ' ' LYS . . . -60.94 -44.02 97.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.788 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -60.55 -39.81 89.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.445 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 605' ' ' SER . 27.4 t -62.66 -39.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.466 ' OE1' ' HG2' ' C' ' 594' ' ' GLU . 4.1 mt-10 -63.97 -41.58 97.5 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.189 0.519 . . . . 0.0 111.788 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.499 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 3.2 tm-20 -63.13 -40.38 97.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.42 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.635 ' O ' HG23 ' B' ' 616' ' ' VAL . 11.0 mt -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.127 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.412 ' HA ' HD23 ' A' ' 612' ' ' LEU . 3.9 ttm105 -59.29 -39.42 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.041 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -51.8 67.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.646 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 111.15 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 612' ' ' LEU . 55.0 t -66.26 -50.27 69.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.79 95.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.335 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.412 ' HB3' HH22 ' C' ' 620' ' ' ARG . 0.2 OUTLIER -62.66 -31.06 71.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' C' ' 620' ' ' ARG . 9.9 mt -70.54 -40.54 73.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.422 ' HA ' HD21 ' A' ' 619' ' ' LEU . 18.2 ttm-85 -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.6 -42.33 91.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.647 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.565 ' O ' ' HG3' ' B' ' 626' ' ' MET . 12.0 mt -62.69 -43.09 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.598 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.42 ' CG2' ' SD ' ' A' ' 626' ' ' MET . 13.8 mt -60.85 -43.52 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -43.73 98.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -38.53 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.043 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 42.9 mtt -65.85 -38.55 89.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.459 ' HG3' ' HE3' ' A' ' 626' ' ' MET . 2.9 tmtm? -63.69 -45.16 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.88 -30.98 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.93 -50.32 62.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -37.11 85.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.451 ' HZ3' ' HZ1' ' B' ' 627' ' ' LYS . 0.0 OUTLIER -61.98 -42.55 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.08 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.975 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.456 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mm-40 -65.8 -40.96 92.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.101 0.477 . . . . 0.0 111.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.1 mt -65.65 -41.93 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.112 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.85 99.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.392 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.48 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.4 mt -64.59 -43.54 93.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.495 ' HA ' HD21 ' A' ' 637' ' ' LEU . 0.2 OUTLIER -62.92 -44.53 95.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -45.52 94.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.773 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -40.43 96.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.012 0.434 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' B' ' 645' ' ' LYS . 0.7 OUTLIER -62.98 -44.29 96.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.728 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . 0.48 ' HA ' ' HD2' ' B' ' 645' ' ' LYS . 0.9 OUTLIER -59.94 -41.59 92.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -40.09 89.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.22 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.47 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.5 OUTLIER -63.76 -38.43 91.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.929 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' B' ' 641' ' ' LEU . 15.7 mttm -61.47 -42.48 98.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.76 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.577 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -60.5 -44.94 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.443 HG12 HH21 ' B' ' 650' ' ' ARG . 3.6 mt -68.47 -42.49 83.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.962 0.41 . . . . 0.0 111.165 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 4.5 ttm105 -60.35 -42.61 96.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.023 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 13.3 mtm180 -63.3 -33.44 75.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.733 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -65.06 -44.37 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.762 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.638 ' HA ' HD23 ' A' ' 651' ' ' LEU . 3.1 tt0 -64.14 -40.67 96.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.166 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -41.44 97.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.306 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.68 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 658' ' ' ILE . 23.1 t -64.27 -37.24 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.126 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.1 -40.93 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.759 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.58 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -31.95 56.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.732 -179.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.584 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -68.55 -39.64 80.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.111 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.71 -46.97 85.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.51 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.402 ' HG ' ' HZ2' ' A' ' 665' ' ' LYS . 1.1 tp -65.92 -34.96 79.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -82.25 -27.51 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -52.59 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.707 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.067 -0.968 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.735 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 48.42 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 0.0 110.653 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 10.2 ttp -131.56 129.67 41.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.584 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.466 ' HG2' ' OE1' ' B' ' 610' ' ' GLU . 3.4 mm-40 -76.48 131.4 39.0 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.758 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 111.42 -26.52 11.87 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.761 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.454 ' HB3' ' HZ2' ' C' ' 596' ' ' LYS . 0.0 OUTLIER -108.09 107.9 60.71 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.499 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 93.1 Cg_endo -85.88 159.24 10.33 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.635 2.223 . . . . 0.0 113.04 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.467 ' HB2' ' HB1' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -151.75 121.53 7.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.035 0.445 . . . . 0.0 111.475 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 22.8 mtm -136.95 104.43 5.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.671 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -127.17 -57.46 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.03 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.671 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 68.1 Cg_endo -75.54 153.22 39.09 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.467 2.111 . . . . 0.0 112.385 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.92 109.96 20.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.46 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.735 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -150.62 178.83 8.71 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.355 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -54.2 48.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.528 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.0 t -58.1 -34.42 70.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.897 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.508 ' HB2' ' H ' ' C' ' 603' ' ' ALA . 4.2 mm-40 -67.72 -42.83 81.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 598' ' ' LYS . . . -60.99 -44.04 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -60.52 -39.83 89.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.492 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.528 HG23 ' O ' ' C' ' 605' ' ' SER . 27.0 t -62.61 -39.58 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.583 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.469 ' OE1' ' HG2' ' A' ' 594' ' ' GLU . 4.1 mt-10 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.195 0.522 . . . . 0.0 111.812 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.501 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 3.2 tm-20 -63.06 -40.36 97.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.441 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.638 ' O ' HG23 ' C' ' 616' ' ' VAL . 11.0 mt -60.85 -43.93 97.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 111.161 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.404 ' HA ' HD23 ' B' ' 612' ' ' LEU . 3.9 ttm105 -59.31 -39.49 83.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.023 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.87 67.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.567 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 111.086 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.638 HG23 ' O ' ' C' ' 612' ' ' LEU . 55.3 t -66.24 -50.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -44.92 95.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.376 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.414 ' HB3' HH22 ' A' ' 620' ' ' ARG . 0.2 OUTLIER -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.999 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 620' ' ' ARG . 9.9 mt -70.49 -40.53 73.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.419 ' HA ' HD21 ' B' ' 619' ' ' LEU . 18.2 ttm-85 -64.04 -39.87 95.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.63 -42.31 91.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.629 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.553 ' O ' ' HG3' ' C' ' 626' ' ' MET . 11.9 mt -62.69 -43.08 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.63 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.416 ' CG2' ' SD ' ' B' ' 626' ' ' MET . 13.7 mt -60.88 -43.51 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.57 98.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.264 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -38.53 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 42.9 mtt -65.93 -38.39 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.46 ' HZ1' ' HZ3' ' C' ' 631' ' ' LYS . 2.9 tmtm? -63.7 -45.2 91.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.031 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.99 -30.87 69.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -67.04 -50.27 62.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -37.19 85.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.46 ' HZ3' ' HZ1' ' C' ' 627' ' ' LYS . 0.0 OUTLIER -61.96 -42.58 99.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.06 99.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.023 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.439 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.1 mm-40 -65.68 -41.09 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.0 mt -65.66 -41.85 91.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.125 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.5 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.4 mt -64.67 -43.44 93.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.512 ' HA ' HD21 ' B' ' 637' ' ' LEU . 0.2 OUTLIER -62.88 -44.65 95.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -45.46 94.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.769 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -40.44 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.982 0.42 . . . . 0.0 110.865 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.529 ' O ' ' HG3' ' C' ' 645' ' ' LYS . 0.7 OUTLIER -62.88 -44.29 96.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.822 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . 0.496 ' HA ' ' HD2' ' C' ' 645' ' ' LYS . 0.9 OUTLIER -59.97 -41.58 92.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.538 -179.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -40.11 89.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.254 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.473 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.5 OUTLIER -63.75 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' C' ' 641' ' ' LEU . 15.6 mttm -61.43 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.699 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.572 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -60.52 -44.95 95.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.439 HG12 HH21 ' C' ' 650' ' ' ARG . 3.5 mt -68.47 -42.52 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 111.216 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 4.5 ttm105 -60.33 -42.55 95.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.063 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 13.3 mtm180 -63.32 -33.46 75.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.661 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -65.16 -44.28 89.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.755 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.632 ' HA ' HD23 ' B' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.61 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.186 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.43 97.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.67 -42.6 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.477 ' O ' HG22 ' C' ' 658' ' ' ILE . 23.0 t -64.21 -37.14 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.209 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.08 -41.02 99.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.42 -48.04 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.591 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -32.07 56.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.634 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.58 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -68.51 -39.69 81.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.022 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.67 -46.99 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.5 75.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.359 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.98 -34.96 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -82.18 -27.48 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -52.57 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.72 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.38 54.01 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.952 0.406 . . . . 0.0 110.635 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttp -133.09 128.43 36.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.565 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.43 ' HB3' ' HG1' ' C' ' 614' ' ' THR . 6.5 mm-40 -75.54 139.06 41.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.742 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.25 -16.25 61.43 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.723 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 102.6 49.61 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.602 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 91.9 Cg_endo -85.28 153.97 10.81 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.64 2.227 . . . . 0.0 112.976 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' C' ' 608' ' ' ALA . 0.0 OUTLIER -150.43 147.33 27.41 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.953 0.406 . . . . 0.0 111.467 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.455 ' HG3' ' OE1' ' A' ' 606' ' ' GLN . 0.1 OUTLIER -153.66 101.48 2.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.56 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.701 ' HB2' ' HD3' ' A' ' 601' ' ' PRO . 0.7 OUTLIER -128.8 -64.62 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.972 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 600' ' ' GLU . 67.9 Cg_endo -73.3 147.52 42.07 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.417 2.078 . . . . 0.0 112.386 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.92 129.03 54.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.331 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -165.6 169.5 15.27 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.312 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' B' ' 601' ' ' PRO . 0.7 OUTLIER -55.56 -40.32 71.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.685 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.1 t -66.96 -42.65 84.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 0.5 OUTLIER -62.31 -34.08 75.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.64 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' B' ' 598' ' ' LYS . . . -64.45 -38.27 90.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.437 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.502 HG11 ' CD1' ' C' ' 612' ' ' LEU . 38.8 t -62.34 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.82 -44.99 91.01 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.154 0.502 . . . . 0.0 111.738 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.614 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.8 OUTLIER -59.98 -42.48 94.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.41 179.423 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 616' ' ' VAL . 5.1 mt -63.54 -37.42 87.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.109 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.489 ' HA ' HD21 ' C' ' 612' ' ' LEU . 6.0 ttm105 -64.29 -36.15 83.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.024 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.437 ' HG1' ' HB3' ' B' ' 594' ' ' GLU . 0.2 OUTLIER -67.3 -41.83 84.71 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.697 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.01 -36.26 79.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.977 0.418 . . . . 0.0 111.164 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 612' ' ' LEU . 71.8 t -67.99 -47.29 79.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -45.03 91.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.312 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.0 OUTLIER -65.49 -41.94 92.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.92 -40.89 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -44.62 89.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -33.1 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.595 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 618' ' ' GLU . 83.6 mt -70.75 -36.29 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.563 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.579 HD12 HD11 ' B' ' 623' ' ' ILE . 5.2 mt -71.0 -45.28 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -42.27 95.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 76.7 p -67.49 -40.79 85.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.967 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.439 ' SD ' HG21 ' A' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.417 ' HG3' ' HE3' ' C' ' 626' ' ' MET . 4.1 tmtm? -63.43 -40.19 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -48.96 74.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -39.28 89.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.531 ' HB3' ' NE2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.5 -43.6 76.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.502 ' HE3' HE21 ' C' ' 630' ' ' GLN . 1.1 mmtp -62.69 -37.29 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -42.59 96.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.039 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.7 -42.92 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.104 0.478 . . . . 0.0 111.867 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.43 -44.29 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.084 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.436 ' HA ' HD13 ' A' ' 638' ' ' LEU . 19.9 mmtt -56.87 -46.84 81.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.398 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.01 -42.89 95.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.992 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.3 mt -59.09 -40.13 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.714 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.538 ' HA ' HD21 ' C' ' 637' ' ' LEU . 0.6 OUTLIER -62.72 -46.43 88.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -31.61 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.797 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.48 -47.58 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -61.31 -36.05 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.813 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.531 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -64.41 -43.77 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -39.19 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.518 ' HD2' HD23 ' A' ' 641' ' ' LEU . 5.3 mttm -58.27 -37.44 74.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.1 83.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.31 -36.28 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 111.258 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.406 ' HA ' HD13 ' A' ' 651' ' ' LEU . 3.5 tmm_? -70.09 -43.68 70.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.83 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -57.68 -36.55 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.428 HD23 ' CA ' ' B' ' 652' ' ' GLN . 0.4 OUTLIER -54.47 -47.73 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.417 ' CA ' HD23 ' C' ' 651' ' ' LEU . 1.8 tt0 -59.76 -36.14 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 4.0 mtm -63.29 -40.25 96.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.237 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.52 -41.0 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 658' ' ' ILE . 2.9 t -63.11 -43.13 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.001 0.429 . . . . 0.0 111.193 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.47 76.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -51.2 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 655' ' ' VAL . 1.2 tt -67.0 -31.44 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.432 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.38 -44.36 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.88 -42.58 89.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.95 82.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.333 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.21 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.5 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 663' ' ' GLN . 3.0 mm-40 -84.06 -25.1 30.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t -76.05 -48.43 20.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.609 ' OXT' ' HG3' ' A' ' 665' ' ' LYS . 14.7 pttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.39 54.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.007 0.432 . . . . 0.0 110.654 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttp -133.04 128.37 36.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.655 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.437 ' HB3' ' HG1' ' A' ' 614' ' ' THR . 6.6 mm-40 -75.57 139.11 41.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.705 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.22 -16.2 61.52 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.734 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 102.59 49.62 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.614 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 92.2 Cg_endo -85.28 153.97 10.81 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.649 2.233 . . . . 0.0 113.01 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 608' ' ' ALA . 0.0 OUTLIER -150.46 147.28 27.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.01 0.433 . . . . 0.0 111.45 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.45 ' HG3' ' OE1' ' B' ' 606' ' ' GLN . 0.1 OUTLIER -153.64 101.51 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.538 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.683 ' HB2' ' HD3' ' B' ' 601' ' ' PRO . 0.7 OUTLIER -128.77 -64.6 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.995 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.683 ' HD3' ' HB2' ' B' ' 600' ' ' GLU . 66.6 Cg_endo -73.33 147.54 41.98 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.437 2.092 . . . . 0.0 112.359 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.93 129.07 54.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.371 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.716 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -165.62 169.55 15.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.318 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.463 ' HB2' ' HD2' ' C' ' 601' ' ' PRO . 0.7 OUTLIER -55.62 -40.24 71.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.1 t -67.03 -42.67 84.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 0.5 OUTLIER -62.25 -34.08 75.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.51 89.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -64.44 -38.36 90.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.427 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.492 HG11 ' CD1' ' A' ' 612' ' ' LEU . 38.9 t -62.27 -44.96 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.76 -45.03 90.69 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.134 0.492 . . . . 0.0 111.774 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.6 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.8 OUTLIER -60.02 -42.38 94.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 616' ' ' VAL . 5.1 mt -63.56 -37.49 87.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 612' ' ' LEU . 6.0 ttm105 -64.15 -36.31 83.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.424 ' HG1' ' HB3' ' C' ' 594' ' ' GLU . 0.2 OUTLIER -67.14 -41.95 85.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.07 -36.29 79.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.111 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 612' ' ' LEU . 72.5 t -67.91 -47.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -45.07 91.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.361 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.461 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.0 OUTLIER -65.36 -42.02 93.21 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.89 -40.97 95.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -44.56 89.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -33.05 74.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.554 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 618' ' ' GLU . 82.8 mt -70.68 -36.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.579 HD11 HD12 ' A' ' 623' ' ' ILE . 5.2 mt -70.98 -45.24 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.22 95.28 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.248 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 76.5 p -67.4 -40.89 85.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.972 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.441 ' SD ' HG21 ' B' ' 622' ' ' ILE . 4.7 mtt -62.53 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.425 ' HG3' ' HE3' ' A' ' 626' ' ' MET . 4.1 tmtm? -63.42 -40.3 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -48.96 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -39.42 90.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.536 ' NE2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.44 -43.52 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 -179.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.501 ' HE3' HE21 ' A' ' 630' ' ' GLN . 1.1 mmtp -62.77 -37.28 86.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.63 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.995 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.71 -42.98 94.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.006 0.431 . . . . 0.0 111.84 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.37 -44.3 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.083 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.422 ' HA ' HD13 ' B' ' 638' ' ' LEU . 19.9 mmtt -56.81 -46.9 81.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.06 -42.88 95.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.3 mt -58.95 -40.19 83.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.767 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.538 ' HA ' HD21 ' A' ' 637' ' ' LEU . 0.6 OUTLIER -62.67 -46.55 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -31.64 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.47 -47.57 63.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.522 HD23 ' HD2' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -61.29 -36.1 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.814 179.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -43.86 93.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.544 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.38 -43.79 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.254 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -39.18 93.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.522 ' HD2' HD23 ' B' ' 641' ' ' LEU . 5.3 mttm -58.24 -37.48 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.76 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -45.19 83.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 7.2 mt -66.27 -36.3 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 121.031 0.443 . . . . 0.0 111.179 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.425 ' HA ' HD13 ' B' ' 651' ' ' LEU . 3.5 tmm_? -70.11 -43.75 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.73 -52.94 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.63 -36.59 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.628 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -54.48 -47.77 72.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.743 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.428 ' CA ' HD23 ' A' ' 651' ' ' LEU . 1.8 tt0 -59.72 -36.12 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.189 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.9 mtm -63.34 -40.2 96.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.45 -41.08 85.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.43 ' O ' HG22 ' B' ' 658' ' ' ILE . 2.9 t -63.12 -43.12 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 111.138 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.42 75.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -51.12 61.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.43 HG22 ' O ' ' B' ' 655' ' ' VAL . 1.2 tt -67.13 -31.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.654 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.428 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.37 -44.41 83.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.085 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.89 -42.56 89.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.88 82.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.355 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.18 72.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' B' ' 663' ' ' GLN . 3.0 mm-40 -84.09 -25.06 30.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t -75.98 -48.41 21.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.6 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 14.8 pttt . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.29 53.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.639 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttp -133.09 128.32 35.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.599 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.424 ' HB3' ' HG1' ' B' ' 614' ' ' THR . 6.5 mm-40 -75.44 139.01 42.02 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.697 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.23 -16.12 61.71 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.765 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 102.61 49.78 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 110.637 -0.134 . . . . 0.0 110.637 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.6 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 92.2 Cg_endo -85.33 153.97 10.75 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.619 2.213 . . . . 0.0 112.963 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 608' ' ' ALA . 0.0 OUTLIER -150.44 147.28 27.35 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.017 0.436 . . . . 0.0 111.431 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.459 ' HG3' ' OE1' ' C' ' 606' ' ' GLN . 0.1 OUTLIER -153.65 101.42 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.551 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.684 ' HB2' ' HD3' ' C' ' 601' ' ' PRO . 0.7 OUTLIER -128.71 -64.53 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.003 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.684 ' HD3' ' HB2' ' C' ' 600' ' ' GLU . 67.3 Cg_endo -73.27 147.52 42.22 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.524 2.149 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.91 129.13 54.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.348 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.726 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -165.68 169.54 15.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.447 ' HB2' ' HD2' ' A' ' 601' ' ' PRO . 0.7 OUTLIER -55.65 -40.19 71.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 5.1 t -66.99 -42.74 84.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 0.5 OUTLIER -62.27 -34.08 75.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.58 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -64.42 -38.3 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.462 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' B' ' 612' ' ' LEU . 38.7 t -62.3 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.68 -45.09 90.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.148 0.499 . . . . 0.0 111.767 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.602 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.8 OUTLIER -59.95 -42.51 94.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.43 179.421 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.549 ' O ' HG23 ' C' ' 616' ' ' VAL . 5.1 mt -63.47 -37.54 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.487 ' HA ' HD21 ' B' ' 612' ' ' LEU . 6.1 ttm105 -64.22 -36.24 83.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.43 ' HG1' ' HB3' ' A' ' 594' ' ' GLU . 0.2 OUTLIER -67.2 -41.91 85.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.634 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.02 -36.25 79.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.019 0.438 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.549 HG23 ' O ' ' C' ' 612' ' ' LEU . 71.6 t -68.05 -47.3 79.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.04 91.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.26 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.449 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.9 OUTLIER -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.86 -40.92 94.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -44.62 89.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -33.05 74.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.62 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.449 HG13 ' O ' ' C' ' 618' ' ' GLU . 83.2 mt -70.7 -36.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.57 HD11 HD12 ' B' ' 623' ' ' ILE . 5.2 mt -71.02 -45.29 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.179 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -42.25 95.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 76.1 p -67.41 -40.86 85.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.007 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.441 ' SD ' HG21 ' C' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.429 ' HG3' ' HE3' ' B' ' 626' ' ' MET . 4.1 tmtm? -63.53 -40.18 96.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -48.91 75.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.031 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -39.36 90.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.536 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -68.46 -43.52 76.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.493 ' HE3' HE21 ' B' ' 630' ' ' GLN . 1.1 mmtp -62.7 -37.33 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -42.62 95.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.068 0.461 . . . . 0.0 111.886 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.33 -44.27 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.139 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.413 ' HA ' HD13 ' C' ' 638' ' ' LEU . 19.8 mmtt -56.81 -46.83 81.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.443 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.22 -42.8 95.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.3 mt -59.09 -40.04 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.538 ' HA ' HD21 ' B' ' 637' ' ' LEU . 0.6 OUTLIER -62.78 -46.48 87.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.119 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.51 -47.52 63.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.517 HD23 ' HD2' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -61.34 -36.13 79.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.79 179.55 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.86 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.46 -43.75 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.186 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -39.19 93.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.517 ' HD2' HD23 ' C' ' 641' ' ' LEU . 5.3 mttm -58.22 -37.46 74.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -45.12 83.12 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.36 -36.19 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.211 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.6 tmm_? -70.17 -43.74 70.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.024 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.76 -52.99 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.747 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.719 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -54.47 -47.76 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.711 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.424 ' CA ' HD23 ' B' ' 651' ' ' LEU . 1.8 tt0 -59.79 -36.07 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.209 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 4.0 mtm -63.32 -40.25 96.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.41 -41.14 85.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.586 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.426 ' O ' HG22 ' C' ' 658' ' ' ILE . 2.9 t -63.01 -43.16 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 111.203 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.34 -33.45 76.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -51.07 61.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.741 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.432 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 1.2 tt -67.13 -31.38 53.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.427 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.32 -44.43 83.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.81 -42.64 89.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.9 82.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.339 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.7 -31.17 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . 0.476 HE21 ' HA ' ' C' ' 663' ' ' GLN . 3.0 mm-40 -83.98 -25.14 30.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t -75.94 -48.48 21.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.592 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 14.7 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.051 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.666 ' H3 ' ' N ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.42 ' HD2' ' O ' ' A' ' 591' ' ' GLY . 5.7 m170 -140.75 80.96 1.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.902 0.382 . . . . 0.0 110.678 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' A' ' 596' ' ' LYS . 0.0 OUTLIER -146.88 132.71 19.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.602 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -79.77 125.35 29.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.669 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.427 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 96.22 -8.1 67.02 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.717 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.479 ' HB2' ' HE3' ' A' ' 593' ' ' MET . 0.0 OUTLIER -113.66 104.02 55.3 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.38 169.73 10.94 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.58 2.186 . . . . 0.0 112.995 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.511 ' HB2' ' HB1' ' C' ' 607' ' ' ALA . 1.7 ttpt -164.98 156.26 14.78 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.052 0.454 . . . . 0.0 111.382 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.4 ' HE3' ' HB1' ' C' ' 608' ' ' ALA . 0.7 OUTLIER -163.98 101.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.579 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.489 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.3 OUTLIER -123.42 -64.23 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.0 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.489 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 66.9 Cg_endo -75.55 150.65 36.14 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.49 2.127 . . . . 0.0 112.362 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.21 118.13 35.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.388 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.664 ' N ' ' H3 ' ' B' ' 591' ' ' GLY . . . -157.13 167.01 31.68 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.323 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' B' ' 600' ' ' GLU . 0.9 OUTLIER -57.63 -25.92 60.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.518 ' O ' HG21 ' A' ' 609' ' ' VAL . 29.7 t -73.52 -38.9 65.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -36.99 73.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' B' ' 598' ' ' LYS . . . -62.8 -41.17 99.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' B' ' 598' ' ' LYS . . . -59.16 -42.91 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.417 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 605' ' ' SER . 2.4 t -68.38 -33.18 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -48.78 80.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.14 0.495 . . . . 0.0 111.734 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.431 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.9 OUTLIER -62.64 -43.84 97.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.433 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' B' ' 613' ' ' ARG . 7.7 mt -59.71 -39.22 83.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.598 ' HB2' HH11 ' A' ' 613' ' ' ARG . 8.8 ttm105 -59.12 -45.55 90.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -47.95 83.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.675 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.19 -36.42 77.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.997 0.427 . . . . 0.0 111.122 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 612' ' ' LEU . 36.1 t -65.35 -46.68 89.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.162 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -42.52 95.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.356 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.014 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 619' ' ' LEU . 1.9 mt -55.49 -41.88 73.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -46.21 88.18 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.87 -32.5 74.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.59 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.489 ' O ' ' HG3' ' A' ' 626' ' ' MET . 43.4 mt -68.29 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.048 0.452 . . . . 0.0 111.672 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.508 HG12 HG12 ' C' ' 623' ' ' ILE . 4.3 mt -63.3 -38.79 83.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.95 -43.2 88.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.48 -45.77 74.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.007 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -64.02 -40.09 95.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.21 -40.0 93.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.37 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.771 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.446 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -65.27 -42.84 92.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.45 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -64.05 -40.92 97.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . 0.449 ' NH2' ' HB3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.37 98.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.959 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.56 ' HB3' HG22 ' B' ' 634' ' ' ILE . 1.3 mt-10 -63.78 -43.03 97.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.873 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.575 HG22 ' HB3' ' C' ' 633' ' ' GLU . 27.0 mt -65.64 -43.15 93.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.115 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.1 -44.45 79.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -35.66 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.24 -43.87 90.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.9 -45.25 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.103 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.57 -39.74 92.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' B' ' 641' ' ' LEU . 4.2 tp10 -64.93 -43.52 92.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 0.0 110.947 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' C' ' 640' ' ' GLU . 0.3 OUTLIER -62.33 -39.11 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.762 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.35 -34.15 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -70.01 -48.25 58.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.211 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -35.44 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.887 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.453 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 21.2 mttm -61.26 -38.78 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.25 87.01 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.456 ' H ' HG13 ' A' ' 647' ' ' ILE . 1.8 mt -68.12 -41.45 84.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.433 HH21 ' HG2' ' C' ' 644' ' ' GLU . 3.4 tmm_? -56.3 -49.97 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.0 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.17 95.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.49 -35.78 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -44.96 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.35 -38.68 81.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.168 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.01 -40.34 94.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.336 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.554 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.62 -39.13 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.98 0.419 . . . . 0.0 111.189 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -62.87 -33.61 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.71 -50.97 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -30.03 48.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.658 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -43.99 87.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -40.6 95.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.67 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.304 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -29.11 66.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -28.98 24.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.7 t -67.75 -32.58 73.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 6.3 pttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.03 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.664 ' H3 ' ' N ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' B' ' 591' ' ' GLY . 5.7 m170 -140.8 81.05 1.78 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.926 0.394 . . . . 0.0 110.621 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' B' ' 596' ' ' LYS . 0.0 OUTLIER -146.93 132.83 19.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.583 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -79.84 125.38 29.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.671 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . 0.431 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 96.11 -7.94 67.22 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.747 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.479 ' HB2' ' HE3' ' B' ' 593' ' ' MET . 0.0 OUTLIER -113.72 104.04 55.25 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 110.602 -0.148 . . . . 0.0 110.602 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.38 169.72 10.94 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.563 2.175 . . . . 0.0 113.008 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.503 ' HB2' ' HB1' ' A' ' 607' ' ' ALA . 1.7 ttpt -165.0 156.23 14.72 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.108 0.48 . . . . 0.0 111.375 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -163.97 101.94 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.584 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.5 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -123.42 -64.27 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.931 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.5 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.3 Cg_endo -75.54 150.64 36.16 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.412 2.074 . . . . 0.0 112.358 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.14 118.18 35.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.412 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.671 ' N ' ' H3 ' ' C' ' 591' ' ' GLY . . . -157.18 166.98 31.7 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.338 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -25.97 60.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.526 ' O ' HG21 ' B' ' 609' ' ' VAL . 29.7 t -73.51 -38.9 65.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.882 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -37.16 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.527 ' HB1' ' HB2' ' C' ' 598' ' ' LYS . . . -62.65 -41.16 98.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -59.22 -42.89 92.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.526 HG21 ' O ' ' B' ' 605' ' ' SER . 2.4 t -68.34 -33.25 59.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.657 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.02 -48.87 79.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.174 0.512 . . . . 0.0 111.791 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.433 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.9 OUTLIER -62.53 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 616' ' ' VAL . 7.8 mt -59.69 -39.24 83.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.11 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.612 HH11 ' HB2' ' B' ' 613' ' ' ARG . 8.9 ttm105 -59.09 -45.59 90.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -47.85 83.62 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.621 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -69.33 -36.32 76.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 111.15 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 612' ' ' LEU . 36.5 t -65.37 -46.6 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -42.48 94.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.14 -40.22 95.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 1.8 mt -55.51 -41.84 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -46.15 88.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.484 ' O ' ' HG3' ' B' ' 626' ' ' MET . 43.4 mt -68.38 -47.98 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.655 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.507 HG12 HG12 ' A' ' 623' ' ' ILE . 4.3 mt -63.31 -38.86 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.21 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.88 -43.17 89.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -45.69 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.99 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.56 98.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -64.2 -39.95 95.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.41 78.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.437 ' HG3' ' HE3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -65.31 -42.69 92.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.973 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.446 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.16 -40.86 97.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.433 ' NH2' ' HB3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.978 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.573 ' HB3' HG22 ' C' ' 634' ' ' ILE . 1.3 mt-10 -63.74 -43.07 97.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.108 0.48 . . . . 0.0 111.877 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.56 HG22 ' HB3' ' A' ' 633' ' ' GLU . 27.2 mt -65.58 -43.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.102 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.02 -44.46 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.401 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -35.63 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.25 -43.84 90.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.763 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.81 -45.27 94.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.168 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.65 -39.73 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.409 ' HB3' HD12 ' C' ' 641' ' ' LEU . 4.2 tp10 -64.95 -43.6 92.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 640' ' ' GLU . 0.3 OUTLIER -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.74 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.36 -34.16 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.05 -48.19 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.245 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.451 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.42 79.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.896 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.453 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 21.1 mttm -61.27 -38.84 88.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.36 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.433 ' HB ' ' HD3' ' C' ' 648' ' ' ARG . 1.8 mt -67.99 -41.59 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.101 0.477 . . . . 0.0 111.162 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.447 HH21 ' HG2' ' A' ' 644' ' ' GLU . 3.4 tmm_? -56.32 -49.91 72.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.24 95.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -64.39 -35.83 82.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.726 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' C' ' 651' ' ' LEU . 0.2 OUTLIER -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.729 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.41 -38.68 81.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.152 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.93 -40.47 95.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.301 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -46.64 88.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.544 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.58 -39.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.86 -33.59 75.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.57 -51.04 55.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -30.02 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.659 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -44.05 87.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -40.7 95.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.62 83.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.17 66.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -29.05 24.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t -67.73 -32.64 73.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 6.3 pttt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.03 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.671 ' H3 ' ' N ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.425 ' HD2' ' O ' ' C' ' 591' ' ' GLY . 5.6 m170 -140.86 81.08 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.626 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.483 ' HE3' ' HB2' ' C' ' 596' ' ' LYS . 0.0 OUTLIER -146.93 132.75 19.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.579 -179.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -79.72 125.33 29.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.727 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . 0.433 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 96.22 -8.01 66.98 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.724 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.483 ' HB2' ' HE3' ' C' ' 593' ' ' MET . 0.0 OUTLIER -113.74 104.04 55.24 Favored Pre-proline 0 CA--C 1.531 0.218 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.41 169.72 10.9 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.554 2.169 . . . . 0.0 112.978 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.527 ' HB2' ' HB1' ' B' ' 607' ' ' ALA . 1.7 ttpt -164.96 156.25 14.82 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.101 0.477 . . . . 0.0 111.461 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -163.93 101.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.508 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -123.42 -64.24 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.938 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.508 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.4 Cg_endo -75.47 150.69 36.56 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.434 2.089 . . . . 0.0 112.375 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.25 118.16 35.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.38 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.666 ' N ' ' H3 ' ' A' ' 591' ' ' GLY . . . -157.15 166.98 31.75 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.325 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -25.93 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.522 ' O ' HG21 ' C' ' 609' ' ' VAL . 29.6 t -73.57 -38.84 65.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.91 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -37.09 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' ' 598' ' ' LYS . . . -62.7 -41.13 98.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -59.2 -42.91 92.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.398 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.522 HG21 ' O ' ' C' ' 605' ' ' SER . 2.4 t -68.39 -33.24 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.583 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.08 -48.78 80.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.176 0.513 . . . . 0.0 111.782 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.427 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.9 OUTLIER -62.56 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.419 179.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.546 HD21 ' HA ' ' A' ' 613' ' ' ARG . 7.7 mt -59.81 -39.09 83.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.616 ' HB2' HH11 ' C' ' 613' ' ' ARG . 8.8 ttm105 -59.21 -45.57 90.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -47.94 83.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.652 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.29 -36.31 76.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.998 0.427 . . . . 0.0 111.146 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.539 HG23 ' O ' ' C' ' 612' ' ' LEU . 36.0 t -65.34 -46.68 89.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -42.55 95.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.31 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.21 95.68 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.012 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.48 -41.79 73.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -46.27 88.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.82 -32.44 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.571 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' C' ' 626' ' ' MET . 42.8 mt -68.46 -47.93 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.508 HG12 HG12 ' A' ' 623' ' ' ILE . 4.3 mt -63.28 -38.88 83.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -65.83 -43.24 89.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -45.83 74.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.482 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 17.3 mtt -60.99 -42.56 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.969 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.406 ' HG3' ' HB3' ' B' ' 626' ' ' MET . 3.2 tmtm? -64.15 -39.98 95.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.31 -39.99 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.04 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -42.42 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.45 ' HG3' ' HE3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -65.32 -42.79 92.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.451 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -40.88 97.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . 0.451 ' NH2' ' HB3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.38 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.969 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.575 ' HB3' HG22 ' A' ' 634' ' ' ILE . 1.3 mt-10 -63.81 -42.99 97.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 111.874 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.573 HG22 ' HB3' ' B' ' 633' ' ' GLU . 27.2 mt -65.6 -43.23 94.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.141 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.09 -44.42 79.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.427 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -35.63 81.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.28 -43.81 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.782 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.87 -45.29 94.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.2 p -61.52 -39.8 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.42 ' HB3' HD12 ' A' ' 641' ' ' LEU . 4.2 tp10 -64.93 -43.59 92.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.036 0.446 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' B' ' 640' ' ' GLU . 0.3 OUTLIER -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.754 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.558 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.08 -48.23 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.201 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.52 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.781 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.451 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 21.1 mttm -61.19 -38.82 87.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -47.29 86.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.427 ' HB ' ' HD3' ' A' ' 648' ' ' ARG . 1.8 mt -68.11 -41.51 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 121.068 0.461 . . . . 0.0 111.159 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.436 HH21 ' HG2' ' B' ' 644' ' ' GLU . 3.4 tmm_? -56.24 -49.99 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.075 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -40.26 95.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.695 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.42 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' B' ' 651' ' ' LEU . 0.2 OUTLIER -61.3 -44.88 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.44 -38.66 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.96 -40.46 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.31 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -46.65 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.548 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.54 -39.23 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.82 -33.66 75.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.55 -51.12 54.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.728 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -30.03 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.7 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.63 -44.06 87.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.62 95.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.57 83.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.21 66.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.544 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -29.02 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t -67.72 -32.65 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 6.4 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.049 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.792 ' H3 ' ' HA ' ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -67.92 142.6 55.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.905 0.383 . . . . 0.0 110.677 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 4.6 mtp -122.53 140.66 52.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.62 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.435 ' HG2' ' HG2' ' B' ' 620' ' ' ARG . 0.6 OUTLIER -61.51 -44.79 96.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.742 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.16 58.33 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.832 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.696 ' HG3' ' HB3' ' B' ' 617' ' ' ARG . 2.2 mppt? 60.08 78.26 0.34 Allowed Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.648 -0.13 . . . . 0.0 110.648 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' B' ' 617' ' ' ARG . 91.9 Cg_endo -85.59 -14.7 5.41 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.607 2.205 . . . . 0.0 113.028 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.608 ' HG3' ' HD2' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -142.49 48.03 1.56 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.129 0.49 . . . . 0.0 111.46 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.658 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 1.7 ttt -59.84 -23.5 63.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.585 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -102.3 145.12 29.94 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.408 ' HB3' ' HD3' ' B' ' 613' ' ' ARG . 66.9 Cg_endo -72.0 164.11 36.7 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.415 2.077 . . . . 0.0 112.392 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.4 177.43 8.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.356 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.54 -60.8 3.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.326 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' A' ' 607' ' ' ALA . 0.2 OUTLIER -58.3 134.96 57.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.213 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.526 ' O ' HG21 ' A' ' 609' ' ' VAL . 23.7 m -71.0 -42.31 69.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -42.02 79.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 604' ' ' SER . . . -66.0 -40.99 91.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 605' ' ' SER . 62.4 t -62.86 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.3 -38.29 79.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.182 0.515 . . . . 0.0 111.783 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.31 -42.86 92.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' B' ' 613' ' ' ARG . 9.9 tp -67.46 -39.62 85.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.7 ' HA ' HD11 ' C' ' 612' ' ' LEU . 2.8 tpt180 -62.43 -43.6 98.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.536 HG22 ' HG2' ' C' ' 599' ' ' MET . 13.1 p -63.53 -41.91 98.46 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.642 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -37.9 78.69 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 111.13 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 612' ' ' LEU . 88.8 t -67.02 -50.15 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.694 ' HB3' ' HG3' ' C' ' 596' ' ' LYS . 0.4 OUTLIER -60.74 -48.11 83.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -37.86 86.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 623' ' ' ILE . 53.2 tp -63.39 -40.19 96.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.455 HH11 ' HB2' ' C' ' 619' ' ' LEU . 0.7 OUTLIER -61.59 -35.35 77.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -39.46 94.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.481 HG21 ' HZ3' ' B' ' 627' ' ' LYS . 11.6 mt -70.09 -37.45 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.635 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.1 mp -61.66 -48.87 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.246 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.67 -34.05 75.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.781 ' HA ' ' H3 ' ' C' ' 591' ' ' GLY . 3.1 m -72.26 -43.47 64.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.009 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.526 ' HG2' ' NE2' ' B' ' 630' ' ' GLN . 5.6 ttm -63.18 -35.48 80.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 1.0 OUTLIER -65.75 -51.02 62.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -28.0 65.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 625' ' ' THR . 0.0 OUTLIER -68.73 -43.15 76.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.796 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.527 ' NE2' ' HG2' ' C' ' 626' ' ' MET . 3.4 pt20 -70.04 -33.94 72.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -65.8 -38.29 88.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -72.19 -39.82 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.966 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.52 -50.75 70.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.943 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.95 -35.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.114 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 4.2 ttpp -59.48 -50.84 72.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.405 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.26 -32.5 73.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.994 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.53 88.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.763 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.32 -40.39 93.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -39.01 92.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.606 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 25.0 tt0 -68.99 -35.74 77.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 645' ' ' LYS . 0.8 OUTLIER -68.73 -38.72 80.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.803 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.77 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.486 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.43 72.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.238 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -67.43 -33.57 75.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.892 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.61 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 7.0 mttt -64.43 -45.84 85.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.767 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -65.96 -47.7 73.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.519 ' HA ' ' HD3' ' A' ' 650' ' ' ARG . 15.1 tt -65.21 -37.88 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.127 0.489 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.25 -43.44 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . 0.632 ' HA ' ' HG3' ' A' ' 652' ' ' GLN . 6.0 tt -62.11 -39.12 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.519 ' HD3' ' HA ' ' A' ' 647' ' ' ILE . 1.0 OUTLIER -59.93 -40.95 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.758 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' B' ' 655' ' ' VAL . 21.9 tp -65.62 -37.09 85.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.632 ' HG3' ' HA ' ' A' ' 649' ' ' LEU . 2.0 mt-30 -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.157 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -41.16 91.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.315 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.483 ' O ' HG13 ' A' ' 658' ' ' ILE . 3.0 tp10 -67.52 -40.38 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.518 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.574 ' HA ' HD13 ' A' ' 658' ' ' ILE . 53.7 t -59.04 -46.22 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.14 -35.58 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.722 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 655' ' ' VAL . 3.2 mt -66.25 -36.17 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.649 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.408 ' HG2' HG12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -66.89 -38.77 86.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.831 0.348 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.62 -53.47 54.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.305 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -32.1 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 31.3 m -63.68 -41.91 98.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.448 ' OXT' ' HG3' ' A' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.048 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.798 ' H3 ' ' HA ' ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -67.97 142.62 55.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.923 0.392 . . . . 0.0 110.638 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 4.6 mtp -122.57 140.62 52.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.577 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.427 ' HG2' ' HG2' ' C' ' 620' ' ' ARG . 0.6 OUTLIER -61.5 -44.74 96.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.753 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.13 58.41 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.818 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.696 ' HG3' ' HB3' ' C' ' 617' ' ' ARG . 2.3 mppt? 60.11 78.26 0.34 Allowed Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.618 -0.141 . . . . 0.0 110.618 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.448 ' HD2' ' CD ' ' C' ' 617' ' ' ARG . 93.3 Cg_endo -85.66 -14.69 5.34 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.559 2.173 . . . . 0.0 112.933 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.604 ' HG3' ' HD2' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -142.44 48.06 1.56 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.076 0.465 . . . . 0.0 111.442 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.678 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 1.7 ttt -59.85 -23.47 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.576 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -102.3 145.09 29.88 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.412 ' HB3' ' HD3' ' C' ' 613' ' ' ARG . 67.3 Cg_endo -71.95 164.1 36.72 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.498 2.132 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.37 177.45 8.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.419 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.56 -60.85 2.95 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.3 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.488 ' HB3' ' HB3' ' B' ' 607' ' ' ALA . 0.2 OUTLIER -58.3 134.91 56.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.528 ' O ' HG21 ' B' ' 609' ' ' VAL . 23.5 m -70.96 -42.33 69.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.91 79.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' B' ' 604' ' ' SER . . . -66.05 -40.97 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.19 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.528 HG21 ' O ' ' B' ' 605' ' ' SER . 62.5 t -62.95 -48.95 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.19 -38.43 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.186 0.517 . . . . 0.0 111.778 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.28 -42.83 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.441 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' C' ' 613' ' ' ARG . 9.9 tp -67.55 -39.63 84.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.787 0.327 . . . . 0.0 111.091 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.718 ' HA ' HD11 ' A' ' 612' ' ' LEU . 2.9 tpt180 -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.536 HG22 ' HG2' ' A' ' 599' ' ' MET . 13.2 p -63.52 -41.88 98.49 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.697 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -37.77 78.32 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.983 0.421 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.09 -50.11 66.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.696 ' HB3' ' HG3' ' A' ' 596' ' ' LYS . 0.4 OUTLIER -60.82 -48.08 83.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.294 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -37.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.978 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.541 ' O ' HD12 ' B' ' 623' ' ' ILE . 53.2 tp -63.46 -40.18 96.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.448 HH11 ' HB2' ' A' ' 619' ' ' LEU . 0.7 OUTLIER -61.66 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -39.31 94.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.469 HG21 ' HZ3' ' C' ' 627' ' ' LYS . 11.6 mt -70.14 -37.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.616 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.541 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.1 mp -61.69 -48.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.7 -33.95 74.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.256 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 625' ' ' THR . . . . . 0.792 ' HA ' ' H3 ' ' A' ' 591' ' ' GLY . 3.1 m -72.22 -43.59 64.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.009 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.523 ' HG2' ' NE2' ' C' ' 630' ' ' GLN . 5.6 ttm -63.13 -35.47 80.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 1.0 OUTLIER -65.82 -50.93 62.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -28.03 65.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.069 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.1 76.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.526 ' NE2' ' HG2' ' A' ' 626' ' ' MET . 3.4 pt20 -70.15 -33.96 72.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -65.73 -38.29 88.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -72.25 -39.72 68.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.969 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.66 -50.69 70.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 111.879 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.99 -35.87 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 4.3 ttpp -59.41 -50.86 72.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.27 -32.52 73.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.49 88.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.3 -40.42 93.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.05 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.793 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.595 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 25.0 tt0 -68.93 -35.71 77.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' B' ' 645' ' ' LYS . 0.8 OUTLIER -68.8 -38.76 80.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.758 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -29.71 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -69.56 -43.47 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.467 ' O ' HG23 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.872 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.606 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 6.9 mttt -64.43 -45.78 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.0 -47.72 73.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.176 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.535 ' HA ' ' HD3' ' B' ' 650' ' ' ARG . 15.2 tt -65.24 -37.91 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.092 0.472 . . . . 0.0 111.144 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.15 -43.51 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . 0.644 ' HA ' ' HG3' ' B' ' 652' ' ' GLN . 5.9 tt -62.06 -39.04 91.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.77 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.535 ' HD3' ' HA ' ' B' ' 647' ' ' ILE . 1.0 OUTLIER -60.04 -40.95 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' C' ' 655' ' ' VAL . 22.1 tp -65.68 -37.1 85.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.644 ' HG3' ' HA ' ' B' ' 649' ' ' LEU . 2.0 mt-30 -58.25 -44.53 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -41.22 91.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.485 ' O ' HG13 ' B' ' 658' ' ' ILE . 3.0 tp10 -67.38 -40.51 85.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.576 ' HA ' HD13 ' B' ' 658' ' ' ILE . 54.3 t -58.92 -46.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.21 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.12 -35.61 77.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.22 -42.56 98.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' B' ' 655' ' ' VAL . 3.2 mt -66.16 -36.2 76.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.591 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -38.69 86.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.852 0.358 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.64 -53.55 52.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.08 79.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.39 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -33.89 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.78 -32.13 31.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 31.4 m -63.75 -41.83 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.441 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.781 ' H3 ' ' HA ' ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -67.96 142.63 55.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.947 0.403 . . . . 0.0 110.654 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 4.6 mtp -122.59 140.66 52.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.55 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 620' ' ' ARG . 0.6 OUTLIER -61.52 -44.81 96.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.685 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.13 58.41 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.824 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.694 ' HG3' ' HB3' ' A' ' 617' ' ' ARG . 2.3 mppt? 60.1 78.26 0.34 Allowed Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.45 ' HD2' ' CD ' ' A' ' 617' ' ' ARG . 92.4 Cg_endo -85.58 -14.73 5.41 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.603 2.202 . . . . 0.0 113.036 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.584 ' HG3' ' HD2' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -142.43 48.01 1.57 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.064 0.459 . . . . 0.0 111.463 -179.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.663 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 1.7 ttt -59.76 -23.58 63.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.586 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -102.3 145.03 29.79 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.983 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.421 ' HB3' ' HD3' ' A' ' 613' ' ' ARG . 67.3 Cg_endo -71.86 164.14 36.63 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.468 2.112 . . . . 0.0 112.437 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.41 177.39 8.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.39 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.57 -60.8 3.02 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.496 ' HB3' ' HB3' ' C' ' 607' ' ' ALA . 0.2 OUTLIER -58.33 134.92 57.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 -179.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.529 ' O ' HG21 ' C' ' 609' ' ' VAL . 23.8 m -71.0 -42.29 69.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.89 79.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.496 ' HB3' ' HB3' ' C' ' 604' ' ' SER . . . -66.08 -40.99 91.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.16 91.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.398 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.529 HG21 ' O ' ' C' ' 605' ' ' SER . 62.6 t -62.87 -48.96 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.31 -38.27 79.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.201 0.524 . . . . 0.0 111.789 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.32 -42.9 92.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.452 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' A' ' 613' ' ' ARG . 9.9 tp -67.52 -39.56 85.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.716 ' HA ' HD11 ' B' ' 612' ' ' LEU . 2.8 tpt180 -62.47 -43.57 98.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.039 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.548 HG22 ' HG2' ' B' ' 599' ' ' MET . 13.2 p -63.56 -41.89 98.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.643 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -37.8 78.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.07 -50.08 67.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.249 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.696 ' HB3' ' HG3' ' B' ' 596' ' ' LYS . 0.4 OUTLIER -60.87 -47.96 83.97 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.369 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -37.78 86.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.527 ' O ' HD12 ' C' ' 623' ' ' ILE . 53.3 tp -63.46 -40.11 96.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.46 HH11 ' HB2' ' B' ' 619' ' ' LEU . 0.7 OUTLIER -61.65 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -39.32 94.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.57 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.474 HG21 ' HZ3' ' A' ' 627' ' ' LYS . 11.5 mt -70.16 -37.4 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.062 0.458 . . . . 0.0 111.643 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.527 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.1 mp -61.68 -48.94 86.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.65 -33.99 74.91 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 625' ' ' THR . . . . . 0.798 ' HA ' ' H3 ' ' B' ' 591' ' ' GLY . 3.1 m -72.26 -43.61 64.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.527 ' HG2' ' NE2' ' A' ' 630' ' ' GLN . 5.6 ttm -63.01 -35.54 80.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 1.0 OUTLIER -65.77 -50.89 63.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -27.92 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.104 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' C' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.18 76.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.787 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.523 ' NE2' ' HG2' ' B' ' 626' ' ' MET . 3.4 pt20 -70.04 -34.05 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -65.72 -38.26 88.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -72.21 -39.79 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.59 -50.71 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 0.0 111.904 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.96 -35.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.111 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 4.3 ttpp -59.39 -50.78 72.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.477 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.39 -32.48 73.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -44.57 88.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.17 -40.44 94.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -39.01 92.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.61 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 25.0 tt0 -68.98 -35.77 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' C' ' 645' ' ' LYS . 0.8 OUTLIER -68.71 -38.71 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.833 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.527 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.45 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.209 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.452 ' O ' HG23 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -67.41 -33.62 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.85 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.595 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 7.0 mttt -64.47 -45.79 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.63 73.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.524 ' HA ' ' HD3' ' C' ' 650' ' ' ARG . 15.1 tt -65.19 -37.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.104 0.478 . . . . 0.0 111.294 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.31 -43.43 81.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . 0.624 ' HA ' ' HG3' ' C' ' 652' ' ' GLN . 6.0 tt -62.13 -39.02 91.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.524 ' HD3' ' HA ' ' C' ' 647' ' ' ILE . 1.0 OUTLIER -60.05 -40.91 91.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.706 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.408 HD13 ' HB ' ' A' ' 655' ' ' VAL . 22.1 tp -65.63 -37.12 85.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.624 ' HG3' ' HA ' ' C' ' 649' ' ' LEU . 2.0 mt-30 -58.28 -44.45 88.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.193 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -41.16 91.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.261 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.488 ' O ' HG13 ' C' ' 658' ' ' ILE . 3.0 tp10 -67.43 -40.47 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.575 ' HA ' HD13 ' C' ' 658' ' ' ILE . 54.0 t -58.99 -46.23 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.08 -35.6 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.35 -42.52 98.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.575 HD13 ' HA ' ' C' ' 655' ' ' VAL . 3.1 mt -66.13 -36.21 76.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.693 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.76 86.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.55 -53.48 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.94 78.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.295 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -32.17 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 31.2 m -63.72 -41.9 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.451 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.71 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.01 82.73 2.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.92 0.39 . . . . 0.0 110.636 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 5.2 mtp -152.33 111.09 3.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.573 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 47.6 mm-40 -58.1 125.18 22.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.699 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.459 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 98.28 7.87 55.59 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.755 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 98.54 51.22 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.537 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 92.4 Cg_endo -85.45 116.13 1.66 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.593 2.196 . . . . 0.0 112.998 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' C' ' 604' ' ' SER . 2.0 ttpt -124.66 114.16 18.97 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.042 0.449 . . . . 0.0 111.432 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.73 77.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.604 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.547 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.3 OUTLIER -101.92 -69.94 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.022 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' C' ' 604' ' ' SER . 66.9 Cg_endo -73.46 118.71 5.61 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.379 2.053 . . . . 0.0 112.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.12 131.01 37.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.394 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.71 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -166.75 173.56 9.45 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.348 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.573 ' HB2' ' CD ' ' B' ' 601' ' ' PRO . 1.2 m -54.73 -42.47 71.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t -64.11 -38.6 91.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -24.43 59.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' B' ' 598' ' ' LYS . . . -63.42 -41.54 98.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -61.17 -38.95 88.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.46 HG22 HG23 ' C' ' 609' ' ' VAL . 4.7 t -66.47 -33.87 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.441 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 3.8 mm-40 -62.8 -43.54 98.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.153 0.501 . . . . 0.0 111.74 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.442 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.4 OUTLIER -65.6 -43.63 89.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.388 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.572 ' CD2' ' HA ' ' B' ' 613' ' ' ARG . 12.5 mt -59.59 -43.02 93.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.084 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' C' ' 612' ' ' LEU . 25.5 ttm180 -57.84 -35.76 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.56 81.37 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.653 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -29.96 65.03 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.448 HG23 HD22 ' C' ' 612' ' ' LEU . 73.8 t -66.77 -46.18 86.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.44 -45.66 89.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.513 ' O ' ' HB ' ' A' ' 622' ' ' ILE . 13.6 mt -63.95 -48.32 76.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -57.94 -51.2 70.6 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 65.2 p -61.17 -23.84 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.513 ' HB ' ' O ' ' A' ' 619' ' ' LEU . 2.1 mt -68.35 -50.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.043 0.449 . . . . 0.0 111.629 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.648 HG12 HG12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -65.6 -36.52 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.25 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.13 -44.72 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.63 -43.32 94.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.004 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.508 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 39.5 mtt -67.69 -30.68 70.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.598 ' HZ3' ' HZ3' ' A' ' 631' ' ' LYS . 4.4 tmtm? -69.16 -42.74 75.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.12 -38.55 85.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.006 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.24 -44.14 92.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.795 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.471 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.2 OUTLIER -69.71 -35.7 75.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.003 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.598 ' HZ3' ' HZ3' ' A' ' 627' ' ' LYS . 0.8 OUTLIER -63.44 -44.9 93.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -43.83 97.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.51 -44.03 97.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 111.874 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.33 -38.6 82.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.096 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.723 ' HE3' ' HA ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.45 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.3 -38.12 89.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' B' ' 638' ' ' LEU . 0.4 OUTLIER -64.15 -42.83 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.475 ' HA ' HD21 ' C' ' 637' ' ' LEU . 12.0 mt -63.14 -46.75 85.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.67 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.8 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.541 ' HB3' HD11 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -66.43 -40.29 89.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' C' ' 640' ' ' GLU . 0.9 OUTLIER -66.36 -38.19 87.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.75 179.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.93 -43.68 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.63 ' HG2' HD11 ' A' ' 647' ' ' ILE . 31.6 tt0 -58.56 -47.21 85.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.265 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.416 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -59.24 -40.36 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.409 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 5.8 mttt -61.93 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mtmm -59.4 -47.06 86.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.63 HD11 ' HG2' ' A' ' 643' ' ' GLU . 3.6 mt -67.28 -34.02 66.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 111.185 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -42.56 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.059 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 646' ' ' LYS . 11.1 mt -57.53 -46.88 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.454 HH21 HG13 ' A' ' 647' ' ' ILE . 44.9 mtm-85 -60.11 -38.82 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.715 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.497 ' HG ' ' HG3' ' B' ' 652' ' ' GLN . 0.2 OUTLIER -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.516 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 1.5 tt0 -61.4 -38.68 87.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.93 -37.38 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 111.324 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -41.13 97.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.531 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 1.5 t -71.13 -39.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.028 0.442 . . . . 0.0 111.217 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -65.98 -37.69 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.12 -47.17 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 659' ' ' LYS . 8.7 tt -68.95 -31.04 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.701 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.702 ' HA ' HD11 ' C' ' 658' ' ' ILE . 10.2 tptt -64.19 -47.11 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.23 -42.95 92.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.16 79.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.354 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -42.61 99.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -20.97 37.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.2 m -71.2 -41.43 70.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.876 ' OXT' ' HG3' ' A' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.71 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.95 82.73 2.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.936 0.398 . . . . 0.0 110.684 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 5.2 mtp -152.36 111.05 3.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.572 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 47.7 mm-40 -58.19 125.23 22.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.751 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . 0.442 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 98.29 7.72 55.73 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.744 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 98.6 51.34 Favored Pre-proline 0 CA--C 1.531 0.234 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.551 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.4 Cg_endo -85.49 116.17 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.578 2.185 . . . . 0.0 112.992 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 604' ' ' SER . 2.0 ttpt -124.62 114.16 18.99 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.982 0.42 . . . . 0.0 111.462 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.76 77.56 1.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.554 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.548 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.3 OUTLIER -102.03 -70.0 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.972 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 604' ' ' SER . 66.3 Cg_endo -73.43 118.69 5.6 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.419 2.079 . . . . 0.0 112.389 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.1 131.0 37.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.389 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.716 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -166.78 173.59 9.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.361 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.571 ' HB2' ' CD ' ' C' ' 601' ' ' PRO . 1.2 m -54.73 -42.45 71.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t -64.12 -38.53 91.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.92 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.96 -24.45 59.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' C' ' 598' ' ' LYS . . . -63.42 -41.51 98.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -61.17 -39.02 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.367 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.458 HG22 HG23 ' A' ' 609' ' ' VAL . 4.7 t -66.42 -33.88 66.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.611 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.435 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 3.8 mm-40 -62.68 -43.6 98.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.208 0.528 . . . . 0.0 111.788 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.451 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.4 OUTLIER -65.6 -43.48 89.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.523 179.39 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.573 ' CD2' ' HA ' ' C' ' 613' ' ' ARG . 12.5 mt -59.66 -43.04 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.572 ' HA ' ' CD2' ' A' ' 612' ' ' LEU . 25.4 ttm180 -57.88 -35.74 71.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.97 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -42.47 81.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.649 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.75 -30.02 65.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.449 HG23 HD22 ' A' ' 612' ' ' LEU . 74.1 t -66.77 -46.3 85.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -45.61 90.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.35 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -29.76 70.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.497 ' O ' ' HB ' ' B' ' 622' ' ' ILE . 13.6 mt -63.97 -48.35 76.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -57.85 -51.35 69.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 65.3 p -61.11 -23.77 65.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.671 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.497 ' HB ' ' O ' ' B' ' 619' ' ' LEU . 2.1 mt -68.35 -50.67 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.594 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.648 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.66 -36.49 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.224 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.11 -44.77 91.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.042 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.5 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 39.5 mtt -67.62 -30.7 70.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.601 ' HZ3' ' HZ3' ' B' ' 631' ' ' LYS . 4.4 tmtm? -69.13 -42.71 75.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.15 -38.55 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -64.33 -44.03 92.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.749 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.473 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -69.76 -35.72 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.921 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.601 ' HZ3' ' HZ3' ' B' ' 627' ' ' LYS . 0.8 OUTLIER -63.49 -44.84 93.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -43.86 97.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.017 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.5 -44.06 97.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.047 0.451 . . . . 0.0 111.873 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.27 -38.67 83.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.725 ' HA ' ' HE3' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -62.13 -46.47 88.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.924 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.479 HD23 HD13 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.14 -42.93 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.714 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.475 ' HA ' HD21 ' A' ' 637' ' ' LEU . 12.0 mt -63.1 -46.75 85.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 50.8 p -63.59 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.549 ' HB3' HD11 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.081 0.467 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 640' ' ' GLU . 0.9 OUTLIER -66.26 -38.32 87.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.766 179.539 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.9 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.515 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.622 ' HG2' HD11 ' B' ' 647' ' ' ILE . 31.9 tt0 -58.65 -47.21 85.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.207 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -40.39 85.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.416 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 5.8 mttt -61.97 -42.95 99.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 19.6 mtmm -59.31 -47.06 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.242 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.622 HD11 ' HG2' ' B' ' 643' ' ' GLU . 3.6 mt -67.38 -33.87 65.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.063 0.459 . . . . 0.0 111.169 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' B' ' 646' ' ' LYS . 11.2 mt -57.45 -46.95 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.449 HH21 HG13 ' B' ' 647' ' ' ILE . 44.8 mtm-85 -60.07 -38.9 84.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.509 ' HG ' ' HG3' ' C' ' 652' ' ' GLN . 0.2 OUTLIER -61.2 -45.1 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.497 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.5 tt0 -61.44 -38.65 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.134 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.98 -37.34 84.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.288 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -41.21 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.549 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.99 -39.1 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.174 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . 0.407 ' HB3' ' HZ3' ' B' ' 660' ' ' LYS . 66.6 m-20 -65.97 -37.67 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.14 -47.04 69.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' C' ' 659' ' ' LYS . 8.7 tt -69.02 -31.04 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.658 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.716 ' HA ' HD11 ' A' ' 658' ' ' ILE . 10.2 tptt -64.23 -47.06 81.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . 0.407 ' HZ3' ' HB3' ' B' ' 656' ' ' ASN . 16.8 mttt -59.26 -42.85 92.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.11 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.389 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -21.04 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.9 m -71.08 -41.46 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.862 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.716 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.98 82.71 2.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 0.0 110.675 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 5.2 mtp -152.32 111.1 3.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.565 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 47.6 mm-40 -58.17 125.2 22.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.673 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . 0.451 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 98.26 7.88 55.61 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.751 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 98.58 51.25 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.534 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 91.4 Cg_endo -85.53 116.19 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.552 2.168 . . . . 0.0 112.983 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' B' ' 604' ' ' SER . 2.0 ttpt -124.69 114.13 18.91 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.081 0.467 . . . . 0.0 111.446 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.71 77.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.567 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.3 OUTLIER -102.0 -69.95 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.997 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.571 ' CD ' ' HB2' ' B' ' 604' ' ' SER . 66.9 Cg_endo -73.52 118.69 5.59 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.388 2.059 . . . . 0.0 112.406 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.08 131.02 37.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.398 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.71 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -166.78 173.6 9.38 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.38 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.583 ' HB2' ' CD ' ' A' ' 601' ' ' PRO . 1.2 m -54.75 -42.46 71.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t -64.07 -38.58 91.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.85 -24.53 59.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 598' ' ' LYS . . . -63.4 -41.48 98.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -61.25 -38.95 88.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.395 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.46 HG23 HG22 ' A' ' 609' ' ' VAL . 4.7 t -66.45 -33.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 3.8 mm-40 -62.64 -43.67 98.22 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.101 0.477 . . . . 0.0 111.753 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.459 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.4 OUTLIER -65.53 -43.6 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.426 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.575 ' CD2' ' HA ' ' A' ' 613' ' ' ARG . 12.5 mt -59.69 -42.99 94.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.573 ' HA ' ' CD2' ' B' ' 612' ' ' LEU . 25.5 ttm180 -57.85 -35.76 71.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.024 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.54 81.38 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.646 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.76 -30.01 65.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.142 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.459 HG23 HD22 ' B' ' 612' ' ' LEU . 73.9 t -66.7 -46.31 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.184 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.25 -45.74 90.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.3 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -29.75 70.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.497 ' O ' ' HB ' ' C' ' 622' ' ' ILE . 13.6 mt -63.98 -48.34 76.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.008 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 65.1 p -61.15 -23.85 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.497 ' HB ' ' O ' ' C' ' 619' ' ' LEU . 2.2 mt -68.26 -50.68 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.655 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.647 HG12 HG12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -65.58 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.249 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.15 -44.71 91.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 8.8 p -64.6 -43.32 94.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.037 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.51 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 39.5 mtt -67.69 -30.62 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.618 ' HZ3' ' HZ3' ' C' ' 631' ' ' LYS . 4.4 tmtm? -69.22 -42.69 75.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.1 -38.55 85.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -64.31 -44.08 92.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.79 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.464 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -69.74 -35.72 75.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.618 ' HZ3' ' HZ3' ' C' ' 627' ' ' LYS . 0.8 OUTLIER -63.5 -44.8 93.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.011 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.47 -44.06 97.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.901 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.3 -38.58 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.101 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.729 ' HA ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -62.12 -46.52 88.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -179.548 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.32 -38.06 89.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 638' ' ' LEU . 0.4 OUTLIER -64.2 -42.82 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 637' ' ' LEU . 12.0 mt -63.16 -46.67 86.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.151 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.72 -32.19 73.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.532 ' HB3' HD11 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.39 89.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.016 0.436 . . . . 0.0 110.839 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' B' ' 640' ' ' GLU . 0.9 OUTLIER -66.27 -38.24 87.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.86 -43.69 98.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.513 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.639 ' HG2' HD11 ' C' ' 647' ' ' ILE . 31.7 tt0 -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.409 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -59.21 -40.43 85.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.932 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -61.94 -42.96 99.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.717 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.512 ' HA ' HD12 ' C' ' 649' ' ' LEU . 19.6 mtmm -59.21 -47.18 86.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.639 HD11 ' HG2' ' C' ' 643' ' ' GLU . 3.6 mt -67.21 -33.96 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.101 0.476 . . . . 0.0 111.248 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' C' ' 646' ' ' LYS . 11.3 mt -57.58 -46.89 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.691 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.451 HH21 HG13 ' C' ' 647' ' ' ILE . 44.7 mtm-85 -60.02 -38.87 83.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.516 ' HG ' ' HG3' ' A' ' 652' ' ' GLN . 0.2 OUTLIER -61.19 -45.11 95.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.509 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.5 tt0 -61.38 -38.66 87.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.197 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -67.03 -37.33 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.219 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -41.07 97.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.532 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 1.5 t -71.13 -39.07 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 111.166 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . 0.415 ' HB3' ' HZ3' ' C' ' 660' ' ' LYS . 66.5 m-20 -66.02 -37.64 86.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.16 -47.14 68.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.724 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.702 HD11 ' HA ' ' A' ' 659' ' ' LYS . 8.7 tt -68.93 -31.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.652 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.719 ' HA ' HD11 ' B' ' 658' ' ' ILE . 10.2 tptt -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.852 0.358 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . 0.415 ' HZ3' ' HB3' ' C' ' 656' ' ' ASN . 16.8 mttt -59.24 -42.82 91.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.27 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.305 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.606 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -21.0 37.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.3 m -71.19 -41.4 70.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.87 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.677 ' H3 ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.639 ' HE2' ' HG3' ' C' ' 606' ' ' GLN . 21.4 m170 -125.34 76.06 1.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.628 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.439 ' HE3' ' O ' ' A' ' 594' ' ' GLU . 0.0 OUTLIER -128.74 117.4 21.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.586 -179.529 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.512 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 2.4 mm-40 -71.34 122.15 19.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.714 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 109.19 -18.39 30.81 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.717 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 106.59 56.86 Favored Pre-proline 0 CA--C 1.532 0.259 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.627 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 93.6 Cg_endo -85.72 149.37 9.86 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.525 2.15 . . . . 0.0 113.016 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.648 ' HE3' ' HB3' ' C' ' 604' ' ' SER . 2.1 ttpt -145.59 136.43 24.5 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.989 0.424 . . . . 0.0 111.449 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.11 53.89 1.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.575 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.407 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.1 OUTLIER -84.94 -62.25 0.26 Allowed Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.959 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.3 Cg_endo -73.18 109.8 2.91 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.537 2.158 . . . . 0.0 112.404 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -80.58 123.16 27.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.388 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.664 ' C ' ' H3 ' ' B' ' 591' ' ' GLY . . . -157.62 161.66 38.67 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.65 ' HB3' ' HE3' ' B' ' 598' ' ' LYS . 0.1 OUTLIER -60.36 -34.82 74.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -28.76 70.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.643 ' HG3' ' HE2' ' B' ' 592' ' ' HIS . 0.5 OUTLIER -76.42 -25.1 54.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' B' ' 598' ' ' LYS . . . -58.91 -41.07 86.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.634 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -62.95 -35.07 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.436 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.83 -42.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.518 ' CB ' ' HA ' ' B' ' 594' ' ' GLU . 1.1 mm-40 -62.0 -44.21 97.2 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 111.799 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.447 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER -57.83 -44.38 86.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.485 179.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' B' ' 613' ' ' ARG . 8.5 mt -64.57 -39.3 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.603 ' HA ' HD21 ' C' ' 612' ' ' LEU . 24.9 ttm180 -59.09 -41.39 87.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -43.36 97.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.619 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.77 -36.22 75.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.051 0.453 . . . . 0.0 111.208 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 612' ' ' LEU . 84.8 t -64.27 -50.03 78.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.92 93.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.31 -38.32 84.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.017 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.496 ' HG ' ' HE ' ' B' ' 620' ' ' ARG . 0.2 OUTLIER -58.11 -46.98 84.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.028 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.49 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.77 79.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -36.19 75.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.55 -42.57 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.556 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 9.5 mt -64.77 -36.62 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.197 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.53 -52.78 59.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.272 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.04 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.71 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 27.7 mtt -56.55 -41.6 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.69 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 2.2 tmtm? -65.8 -40.74 92.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -64.89 -39.4 93.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.411 HE22 ' HG2' ' B' ' 627' ' ' LYS . 0.2 OUTLIER -63.99 -43.55 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -43.54 98.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -41.08 98.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.992 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.642 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.5 mt-10 -66.05 -41.35 90.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 0.0 111.853 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.627 HG21 ' HB3' ' C' ' 633' ' ' GLU . 16.2 mt -62.05 -48.06 90.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.139 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.16 -44.71 83.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.459 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -60.32 -44.68 95.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.004 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' B' ' 637' ' ' LEU . 0.3 OUTLIER -60.1 -42.26 94.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.652 ' HG ' HD13 ' C' ' 637' ' ' LEU . 10.5 mt -61.71 -47.82 83.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.076 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.28 -38.31 79.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -43.25 85.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.006 0.431 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.419 HD21 ' HE2' ' A' ' 645' ' ' LYS . 4.5 tt -61.08 -41.87 97.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.786 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -35.35 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.474 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.199 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.99 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 649' ' ' LEU . 9.1 mttt -65.44 -37.15 86.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.44 ' HA ' HD12 ' A' ' 649' ' ' LEU . 8.7 mtmm -65.95 -51.04 62.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 3.6 mt -60.88 -43.16 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.478 HH12 HD21 ' A' ' 649' ' ' LEU . 3.3 tmm_? -61.47 -34.83 76.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.054 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 645' ' ' LYS . 47.6 mt -61.69 -45.01 95.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.53 -33.99 77.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.667 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.29 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.22 -36.96 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 12.1 mtm -61.67 -44.73 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.271 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.42 -44.2 95.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.6 t -61.67 -43.54 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -35.35 80.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.79 -48.65 68.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.679 HG12 HD13 ' C' ' 658' ' ' ILE . 10.7 tt -67.19 -30.11 48.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.646 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -70.69 -38.7 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.59 81.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.22 81.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.661 HD12 HG13 ' C' ' 658' ' ' ILE . 2.6 tt -59.73 -35.48 74.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.21 -23.06 47.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m -74.1 -36.81 64.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.664 ' H3 ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.643 ' HE2' ' HG3' ' A' ' 606' ' ' GLN . 21.4 m170 -125.37 76.02 1.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.714 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' B' ' 594' ' ' GLU . 0.0 OUTLIER -128.75 117.43 21.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.568 -179.491 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.518 ' HA ' ' CB ' ' A' ' 610' ' ' GLU . 2.4 mm-40 -71.28 122.12 19.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.746 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 109.18 -18.39 30.85 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.754 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.56 106.56 56.87 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.634 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.7 Cg_endo -85.64 149.29 9.96 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.59 2.193 . . . . 0.0 113.026 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.65 ' HE3' ' HB3' ' A' ' 604' ' ' SER . 2.1 ttpt -145.54 136.41 24.54 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.04 0.448 . . . . 0.0 111.471 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.07 53.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.566 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.418 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.1 OUTLIER -84.89 -62.29 0.26 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.98 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.4 Cg_endo -73.16 109.8 2.91 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.53 2.153 . . . . 0.0 112.391 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -80.53 123.24 27.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.392 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.665 ' C ' ' H3 ' ' C' ' 591' ' ' GLY . . . -157.71 161.61 38.55 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.329 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.655 ' HB3' ' HE3' ' C' ' 598' ' ' LYS . 0.1 OUTLIER -60.36 -34.77 74.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 -179.597 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -28.78 70.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.646 ' HG3' ' HE2' ' C' ' 592' ' ' HIS . 0.5 OUTLIER -76.45 -25.05 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' C' ' 598' ' ' LYS . . . -58.9 -41.12 86.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.632 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -62.96 -35.06 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.85 -42.16 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.519 ' CB ' ' HA ' ' C' ' 594' ' ' GLU . 1.1 mm-40 -62.01 -44.12 97.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.12 0.485 . . . . 0.0 111.842 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.434 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER -57.83 -44.46 86.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.468 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' C' ' 613' ' ' ARG . 8.5 mt -64.51 -39.35 93.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.618 ' HA ' HD21 ' A' ' 612' ' ' LEU . 24.8 ttm180 -59.07 -41.41 87.91 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -43.38 97.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.643 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.68 -36.24 75.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.081 0.467 . . . . 0.0 111.252 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 612' ' ' LEU . 85.0 t -64.25 -50.0 78.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.9 92.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.32 -38.4 84.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.493 ' HG ' ' HE ' ' C' ' 620' ' ' ARG . 0.2 OUTLIER -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.496 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.7 79.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -36.1 75.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.6 -42.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.585 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 619' ' ' LEU . 9.6 mt -64.82 -36.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.197 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.67 -52.63 59.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.91 81.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.978 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.7 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 27.7 mtt -56.7 -41.57 77.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.71 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 2.2 tmtm? -65.83 -40.74 92.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.82 -39.45 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -47.68 78.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.421 HE22 ' HG2' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -64.02 -43.53 95.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.76 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.401 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -61.1 -43.63 98.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -41.1 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.5 mt-10 -65.97 -41.32 91.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 111.906 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.642 HG21 ' HB3' ' A' ' 633' ' ' GLU . 16.1 mt -62.16 -48.07 90.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.025 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.17 -44.65 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.451 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -60.38 -44.66 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' C' ' 637' ' ' LEU . 0.3 OUTLIER -60.05 -42.26 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HG ' HD13 ' A' ' 637' ' ' LEU . 10.4 mt -61.73 -47.78 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 13.1 p -59.31 -38.24 79.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.775 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -43.24 85.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.414 HD21 ' HE2' ' B' ' 645' ' ' LYS . 4.5 tt -61.2 -41.76 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.755 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.47 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.44 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.32 -43.81 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.249 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -34.17 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' B' ' 649' ' ' LEU . 9.1 mttt -65.27 -37.15 86.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' B' ' 649' ' ' LEU . 8.7 mtmm -66.04 -50.94 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 3.6 mt -60.97 -43.15 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 111.196 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.49 HH12 HD21 ' B' ' 649' ' ' LEU . 3.3 tmm_? -61.43 -34.87 76.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.061 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 645' ' ' LYS . 47.4 mt -61.61 -45.07 95.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.45 -34.06 77.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.673 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.27 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.08 -36.99 84.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.178 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.63 -44.76 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.262 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.2 95.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 651' ' ' LEU . 42.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -35.37 80.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.76 68.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.676 HG12 HD13 ' A' ' 658' ' ' ILE . 10.8 tt -67.1 -30.16 48.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.678 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -70.65 -38.66 73.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -46.59 81.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.29 81.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 658' ' ' ILE . 2.7 tt -59.72 -35.43 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.26 -23.08 47.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m -74.09 -36.83 64.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.468 ' HE2' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.665 ' H3 ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.646 ' HE2' ' HG3' ' B' ' 606' ' ' GLN . 21.3 m170 -125.42 76.1 1.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.593 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.437 ' HE3' ' O ' ' C' ' 594' ' ' GLU . 0.0 OUTLIER -128.72 117.42 21.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.62 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.519 ' HA ' ' CB ' ' B' ' 610' ' ' GLU . 2.4 mm-40 -71.32 122.15 19.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.776 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 109.13 -18.33 31.02 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.775 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.59 106.61 56.85 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.632 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 93.1 Cg_endo -85.67 149.35 9.93 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.565 2.176 . . . . 0.0 112.977 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.655 ' HE3' ' HB3' ' B' ' 604' ' ' SER . 2.1 ttpt -145.62 136.41 24.44 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.032 0.444 . . . . 0.0 111.475 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.14 53.89 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.607 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.412 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.1 OUTLIER -84.84 -62.3 0.26 Allowed Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.998 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.8 Cg_endo -73.14 109.9 2.93 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.424 2.083 . . . . 0.0 112.423 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -80.57 123.22 27.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.389 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.677 ' C ' ' H3 ' ' A' ' 591' ' ' GLY . . . -157.68 161.58 38.58 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.311 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.648 ' HB3' ' HE3' ' A' ' 598' ' ' LYS . 0.1 OUTLIER -60.29 -34.73 74.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.298 -179.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -28.78 70.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.639 ' HG3' ' HE2' ' A' ' 592' ' ' HIS . 0.5 OUTLIER -76.37 -25.15 54.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 598' ' ' LYS . . . -58.82 -41.18 86.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -62.84 -35.13 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.467 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.77 -42.05 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.512 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 1.1 mm-40 -62.13 -44.15 97.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.176 0.513 . . . . 0.0 111.733 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.449 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER -57.83 -44.42 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.448 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.603 HD21 ' HA ' ' A' ' 613' ' ' ARG . 8.4 mt -64.62 -39.35 93.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.021 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.614 ' HA ' HD21 ' B' ' 612' ' ' LEU . 24.8 ttm180 -59.06 -41.37 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -43.28 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.8 -36.22 75.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.042 0.448 . . . . 0.0 111.191 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.542 HG23 ' O ' ' C' ' 612' ' ' LEU . 84.8 t -64.32 -50.05 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -38.94 92.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.24 -38.47 85.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.49 ' HG ' ' HE ' ' A' ' 620' ' ' ARG . 0.2 OUTLIER -58.07 -47.03 84.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.493 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -56.34 -43.8 79.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.12 75.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.56 -42.6 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 111.609 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.408 HG13 ' O ' ' C' ' 619' ' ' LEU . 9.6 mt -64.82 -36.6 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.201 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.57 -52.74 59.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -47.98 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.69 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 27.7 mtt -56.61 -41.62 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.7 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 2.2 tmtm? -65.76 -40.84 92.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.056 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.76 -39.42 93.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -47.57 78.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.415 HE22 ' HG2' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -64.07 -43.52 95.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -43.55 98.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -41.08 97.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.022 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.627 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.5 mt-10 -66.09 -41.27 90.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.065 0.46 . . . . 0.0 111.904 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' B' ' 633' ' ' GLU . 16.2 mt -62.09 -48.1 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.15 -44.68 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.4 -44.65 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' B' ' 637' ' ' LEU . 0.3 OUTLIER -60.03 -42.27 94.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 179.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.649 ' HG ' HD13 ' B' ' 637' ' ' LEU . 10.5 mt -61.73 -47.77 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.32 -38.29 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.763 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -43.3 85.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.41 HD21 ' HE2' ' C' ' 645' ' ' LYS . 4.5 tt -61.12 -41.8 97.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.778 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.4 80.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.502 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.34 -43.87 93.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.153 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -34.19 76.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' C' ' 649' ' ' LEU . 9.1 mttt -65.3 -37.15 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' C' ' 649' ' ' LEU . 8.7 mtmm -66.01 -50.94 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.246 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 3.6 mt -60.92 -43.21 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.072 0.463 . . . . 0.0 111.215 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.487 HH12 HD21 ' C' ' 649' ' ' LEU . 3.3 tmm_? -61.44 -34.8 76.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' C' ' 645' ' ' LYS . 47.4 mt -61.69 -44.99 95.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.46 -34.06 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.581 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.25 -43.13 99.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.17 -36.98 84.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.55 -44.79 96.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.337 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.16 95.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.581 HG23 ' O ' ' C' ' 651' ' ' LEU . 42.5 t -61.67 -43.51 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.28 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -35.37 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.81 68.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 658' ' ' ILE . 10.8 tt -67.03 -30.17 48.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.695 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -70.66 -38.67 73.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.68 81.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.21 -46.19 81.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.326 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.658 HD12 HG13 ' B' ' 658' ' ' ILE . 2.6 tt -59.84 -35.37 74.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.522 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.27 -23.1 47.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.6 m -74.02 -36.79 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.102 -0.952 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.407 ' HE2' ' HG3' ' C' ' 606' ' ' GLN . 16.6 m170 -126.11 63.53 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.937 0.399 . . . . 0.0 110.714 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.83 128.66 41.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.62 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -73.43 125.14 27.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.709 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.482 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 97.77 -12.07 64.4 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.778 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 95.63 13.97 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.597 -0.149 . . . . 0.0 110.597 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.627 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 94.0 Cg_endo -86.97 166.09 8.49 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.58 2.187 . . . . 0.0 112.984 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.43 138.44 11.05 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.068 0.461 . . . . 0.0 111.404 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.47 60.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.599 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.448 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.8 OUTLIER -91.24 -63.95 0.18 Allowed Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.961 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.537 ' CD ' ' HB2' ' C' ' 604' ' ' SER . 67.6 Cg_endo -75.23 121.99 6.82 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.453 2.102 . . . . 0.0 112.385 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.24 116.75 31.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.398 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.696 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -156.7 170.37 22.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.323 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.548 ' HB2' ' CD ' ' B' ' 601' ' ' PRO . 0.9 OUTLIER -53.06 -31.89 44.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -37.89 70.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.408 ' HG3' ' HE2' ' B' ' 592' ' ' HIS . 0.1 OUTLIER -68.88 -33.04 73.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.035 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.96 88.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.643 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -63.46 -41.04 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.419 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.39 -37.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.71 -51.14 70.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.739 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.478 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.5 OUTLIER -54.95 -45.99 74.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.501 179.383 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 616' ' ' VAL . 4.5 mt -61.38 -38.27 86.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.097 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.484 ' HA ' HD21 ' C' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.89 85.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.04 88.13 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.646 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.42 -35.64 79.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.999 0.428 . . . . 0.0 111.17 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 612' ' ' LEU . 93.3 t -66.53 -47.96 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.6 -41.59 98.3 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.34 -28.48 66.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.56 -40.67 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.579 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.4 OUTLIER -63.21 -38.14 89.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.89 72.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.13 -48.18 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.591 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 627' ' ' LYS . 2.3 mt -64.0 -37.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.248 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.82 -44.93 88.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 39.1 p -68.76 -48.24 64.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.981 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 3.0 mtt -57.67 -39.72 77.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.92 -36.27 81.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.068 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.18 -43.39 70.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.808 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -33.26 74.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.81 97.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.977 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.79 -47.4 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.044 0.449 . . . . 0.0 111.89 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.658 HG22 HD13 ' A' ' 638' ' ' LEU . 9.9 mt -57.21 -47.1 84.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.113 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.402 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.26 -35.47 79.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' B' ' 637' ' ' LEU . 2.2 mt -68.99 -42.39 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.744 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 634' ' ' ILE . 1.2 mt -61.28 -42.6 98.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.2 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.59 -37.5 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -46.49 88.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.581 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -61.97 -40.68 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.739 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . 0.523 ' O ' ' HG3' ' A' ' 646' ' ' LYS . 0.1 OUTLIER -59.23 -45.56 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.49 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.574 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 1.3 tt0 -62.53 -37.98 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.216 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.95 92.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.52 -35.47 81.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.574 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 10.2 mtmm -63.06 -57.78 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.275 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 643' ' ' GLU . 2.9 mp -62.29 -34.59 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 0.0 111.157 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -44.0 85.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.033 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.88 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.713 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.86 -29.39 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.699 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.664 HD21 HD21 ' C' ' 651' ' ' LEU . 0.3 OUTLIER -64.47 -48.67 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -37.74 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mtt -64.93 -36.66 85.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.265 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -66.29 -47.36 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.511 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.83 -38.62 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.203 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.54 -49.33 73.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.727 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' B' ' 659' ' ' LYS . 16.3 tt -67.23 -32.55 58.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.662 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.689 ' HA ' HD11 ' C' ' 658' ' ' ILE . 2.6 tptt -60.79 -49.6 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.861 0.362 . . . . 0.0 111.088 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.54 -42.35 78.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.43 75.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.387 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.403 ' HG ' ' HZ2' ' C' ' 665' ' ' LYS . 0.8 OUTLIER -69.98 -35.87 74.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -86.8 -16.69 35.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -51.49 24.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.058 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.696 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.408 ' HE2' ' HG3' ' A' ' 606' ' ' GLN . 16.5 m170 -126.1 63.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.641 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.78 128.7 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.611 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -73.45 125.12 27.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.736 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . 0.478 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 97.82 -12.12 64.31 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.765 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 95.68 14.07 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.643 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.2 Cg_endo -86.92 166.05 8.58 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.603 2.202 . . . . 0.0 112.999 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.37 138.43 11.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.037 0.446 . . . . 0.0 111.437 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.45 59.92 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.633 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.439 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.8 OUTLIER -91.16 -63.94 0.18 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.003 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.548 ' CD ' ' HB2' ' A' ' 604' ' ' SER . 67.2 Cg_endo -75.21 121.96 6.82 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.47 2.113 . . . . 0.0 112.398 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.23 116.75 31.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.368 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.695 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -156.69 170.34 22.64 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.326 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.546 ' HB2' ' CD ' ' C' ' 601' ' ' PRO . 0.9 OUTLIER -53.12 -31.89 44.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -38.01 70.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.406 ' HG3' ' HE2' ' C' ' 592' ' ' HIS . 0.1 OUTLIER -68.91 -32.97 72.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.012 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.97 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -63.36 -41.16 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.417 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.32 -37.66 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.569 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.58 -51.18 70.49 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.183 0.516 . . . . 0.0 111.771 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.477 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.5 OUTLIER -55.05 -45.88 75.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.485 179.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.59 ' O ' HG23 ' B' ' 616' ' ' VAL . 4.5 mt -61.4 -38.27 86.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.796 0.331 . . . . 0.0 111.087 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.496 ' HA ' HD21 ' A' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.83 85.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -44.96 88.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.617 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.46 -35.57 79.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 612' ' ' LEU . 93.8 t -66.57 -47.91 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.74 -41.5 98.02 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.331 -179.736 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.28 -28.52 66.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.67 -40.57 97.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.555 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.4 OUTLIER -63.2 -38.16 90.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.93 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.1 -48.17 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.584 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' B' ' 627' ' ' LYS . 2.3 mt -64.02 -37.83 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.159 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.79 -45.0 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 39.0 p -68.7 -48.32 64.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.968 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 3.0 mtt -57.53 -39.84 77.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' B' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.33 77.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.98 -36.24 81.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.078 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.16 -43.34 71.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -33.29 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.8 97.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.998 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.83 -47.32 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.666 HG22 HD13 ' B' ' 638' ' ' LEU . 9.8 mt -57.25 -47.08 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.138 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.402 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.18 -35.49 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.598 ' HB3' HD22 ' A' ' 637' ' ' LEU . 2.2 mt -69.01 -42.34 76.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.666 HD13 HG22 ' B' ' 634' ' ' ILE . 1.2 mt -61.27 -42.71 99.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.107 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.4 -37.62 87.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -46.44 89.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.581 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.03 -40.68 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.766 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' B' ' 646' ' ' LYS . 0.1 OUTLIER -59.22 -45.55 90.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.507 -179.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.559 ' HA ' ' HE2' ' B' ' 646' ' ' LYS . 1.3 tt0 -62.47 -38.04 88.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.264 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -39.0 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -64.58 -35.38 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.7 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 10.2 mtmm -63.25 -57.68 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.466 HD12 ' O ' ' B' ' 643' ' ' GLU . 2.9 mp -62.25 -34.67 65.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.969 0.414 . . . . 0.0 111.156 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -43.98 85.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.89 91.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -63.87 -29.43 70.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.662 HD21 HD21 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.38 -48.71 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.756 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -37.84 76.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.18 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.4 mtt -64.86 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.335 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -66.35 -47.31 73.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.493 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.6 t -59.91 -38.54 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -69.95 -37.39 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.56 -49.19 74.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' C' ' 659' ' ' LYS . 16.3 tt -67.36 -32.48 57.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.706 ' HA ' HD11 ' A' ' 658' ' ' ILE . 2.6 tptt -60.85 -49.57 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.55 -42.32 78.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.956 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.54 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.377 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -35.85 74.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -86.87 -16.58 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -51.39 25.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.695 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.406 ' HE2' ' HG3' ' B' ' 606' ' ' GLN . 16.4 m170 -126.14 63.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.936 0.398 . . . . 0.0 110.681 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.79 128.62 41.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.611 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -73.43 125.13 27.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.739 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . 0.477 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 97.82 -12.16 64.29 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.781 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.29 95.65 13.86 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.639 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 92.5 Cg_endo -86.92 166.01 8.58 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.594 2.196 . . . . 0.0 112.995 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.32 138.45 11.19 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.987 0.423 . . . . 0.0 111.44 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.44 59.9 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.647 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.449 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.8 OUTLIER -91.17 -63.95 0.18 Allowed Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.975 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' B' ' 604' ' ' SER . 67.3 Cg_endo -75.24 122.04 6.86 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.459 2.106 . . . . 0.0 112.392 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.28 116.76 31.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.361 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.709 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -156.76 170.34 22.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.334 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.537 ' HB2' ' CD ' ' A' ' 601' ' ' PRO . 0.9 OUTLIER -53.04 -31.93 44.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.247 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -37.91 70.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.407 ' HG3' ' HE2' ' A' ' 592' ' ' HIS . 0.1 OUTLIER -68.95 -33.0 73.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.97 88.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -63.35 -41.16 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.471 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.36 -37.56 80.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.549 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.66 -51.12 70.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 111.738 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.482 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.5 OUTLIER -55.03 -45.97 75.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.484 179.432 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.584 ' O ' HG23 ' C' ' 616' ' ' VAL . 4.5 mt -61.35 -38.35 86.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.089 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.491 ' HA ' HD21 ' B' ' 612' ' ' LEU . 20.1 ttm180 -59.48 -39.88 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.031 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -45.05 87.97 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.619 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.41 -35.63 79.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.03 0.443 . . . . 0.0 111.171 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.584 HG23 ' O ' ' C' ' 612' ' ' LEU . 93.2 t -66.61 -47.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -41.56 98.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.36 -28.44 66.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.594 ' HB3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.62 -40.69 97.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.573 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.4 OUTLIER -63.08 -38.26 90.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -31.93 72.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.16 -48.11 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.615 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 2.3 mt -64.0 -37.81 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.22 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -64.8 -44.92 88.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.257 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 38.8 p -68.77 -48.29 64.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 3.0 mtt -57.57 -39.8 77.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.0 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.9 -36.27 81.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.19 -43.36 70.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -33.26 74.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -42.92 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.013 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.91 -47.27 81.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 0.0 111.872 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.67 HG22 HD13 ' C' ' 638' ' ' LEU . 9.9 mt -57.31 -47.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.07 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -43.47 98.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.467 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.21 -35.46 78.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.597 ' HB3' HD22 ' B' ' 637' ' ' LEU . 2.2 mt -69.05 -42.4 76.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.711 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.67 HD13 HG22 ' C' ' 634' ' ' ILE . 1.2 mt -61.26 -42.67 99.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.163 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.47 -37.51 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -46.51 88.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.02 -40.53 96.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.772 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' C' ' 646' ' ' LYS . 0.1 OUTLIER -59.38 -45.5 91.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.476 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.565 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 1.3 tt0 -62.56 -37.97 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.205 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.96 92.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.49 -35.47 81.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.779 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.565 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 10.2 mtmm -63.26 -57.62 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.468 HD12 ' O ' ' C' ' 643' ' ' GLU . 2.9 mp -62.26 -34.71 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -43.96 85.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.83 91.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.95 -29.35 70.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.664 HD21 HD21 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.46 -48.68 74.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.758 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -37.76 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.5 mtt -64.9 -36.7 85.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -66.26 -47.39 73.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.507 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 16.6 t -59.86 -38.56 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.193 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -69.83 -37.48 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.48 -49.26 74.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.689 HD11 ' HA ' ' A' ' 659' ' ' LYS . 16.3 tt -67.34 -32.5 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.71 ' HA ' HD11 ' B' ' 658' ' ' ILE . 2.6 tptt -60.88 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.48 -42.47 78.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.44 75.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.337 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.97 -35.97 74.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -86.81 -16.67 35.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -51.53 24.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.992 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.403 ' HZ2' ' HG ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -129.01 21.57 5.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.989 0.423 . . . . 0.0 110.698 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.21 123.61 47.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.565 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.543 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 6.7 mm-40 -69.96 143.14 52.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.728 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 83.61 -4.07 83.16 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.738 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 92.73 42.64 Favored Pre-proline 0 CA--C 1.531 0.238 0 O-C-N 122.972 -0.134 . . . . 0.0 110.684 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.409 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.8 Cg_endo -86.21 161.91 9.95 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.594 2.196 . . . . 0.0 112.992 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -158.9 127.38 5.25 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.029 0.442 . . . . 0.0 111.518 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.49 94.22 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.478 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.3 OUTLIER -123.26 -65.8 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.026 179.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.4 Cg_endo -72.89 127.29 12.08 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.433 2.088 . . . . 0.0 112.413 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.96 124.61 44.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.394 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.725 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -158.8 166.44 31.93 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.4 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.69 -44.49 66.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -38.34 84.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.862 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.67 -35.65 81.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' B' ' 597' ' ' PRO . . . -60.66 -34.73 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -64.58 -35.73 81.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.428 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.4 ' H ' HG21 ' A' ' 609' ' ' VAL . 2.1 t -68.86 -31.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.547 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 0.8 OUTLIER -62.28 -48.2 80.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.143 0.497 . . . . 0.0 111.743 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.422 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER -60.18 -39.51 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.444 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.552 HD22 HG23 ' B' ' 616' ' ' VAL . 3.0 mt -64.34 -37.52 87.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.081 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.403 HH22 ' HB3' ' C' ' 611' ' ' GLU . 10.8 ttm180 -64.4 -37.04 86.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.997 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.432 HG21 ' HB3' ' B' ' 594' ' ' GLU . 0.0 OUTLIER -66.69 -48.52 69.03 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.7 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.476 ' O ' HD13 ' A' ' 619' ' ' LEU . 3.0 tt0 -63.73 -38.38 90.88 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.189 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.545 HG23 HD22 ' C' ' 612' ' ' LEU . 75.8 t -66.66 -45.22 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -49.98 75.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.366 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.1 mt-10 -65.48 -29.26 69.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 615' ' ' GLN . 0.0 OUTLIER -61.07 -50.2 74.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.01 76.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.986 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.605 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 618' ' ' GLU . 96.8 mt -62.43 -49.55 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.631 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.546 HG21 ' SD ' ' C' ' 626' ' ' MET . 5.4 mt -62.52 -35.3 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.41 -45.73 75.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.0 p -68.32 -43.09 78.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.554 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 54.3 mtt -65.3 -36.21 83.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.555 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.19 99.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.64 -34.21 76.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.05 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.55 -46.75 75.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.435 ' O ' HG13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -66.56 -36.6 83.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.651 ' HZ3' ' HG3' ' C' ' 633' ' ' GLU . 2.5 mmpt? -65.42 -41.53 93.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.06 93.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.992 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.66 ' HG3' ' HZ3' ' B' ' 631' ' ' LYS . 3.3 mm-40 -62.46 -39.69 94.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 111.823 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.442 HD12 ' HE2' ' A' ' 631' ' ' LYS . 32.4 mt -62.66 -40.57 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.058 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.486 ' HE3' ' N ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -61.58 -41.43 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 -179.494 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.46 -38.19 90.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.005 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.95 -41.84 81.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 635' ' ' LYS . 4.3 mt -63.1 -41.95 99.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.91 93.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -40.37 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.023 0.44 . . . . 0.0 110.908 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.78 -42.92 85.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.807 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -40.15 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.414 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.12 -32.46 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.275 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.655 ' HG2' ' HD3' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.74 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.879 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.654 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 3.6 mmtt -71.03 -37.86 72.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.694 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 10.2 mtmm -64.2 -50.05 69.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.0 mt -64.16 -38.94 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 121.04 0.448 . . . . 0.0 111.16 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.601 ' HD3' ' HA ' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.8 -45.88 92.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -41.53 80.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 2.5 mtm-85 -60.86 -33.69 73.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.702 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.634 HD23 ' HA ' ' B' ' 652' ' ' GLN . 0.2 OUTLIER -63.46 -49.21 74.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.619 ' HA ' HD23 ' C' ' 651' ' ' LEU . 0.2 OUTLIER -61.75 -39.04 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.163 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.78 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.304 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.28 -43.84 96.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.52 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.539 HG23 HD23 ' C' ' 651' ' ' LEU . 46.2 t -57.49 -46.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.31 -29.22 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.6 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.774 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.524 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 5.6 tt -64.51 -26.82 41.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.656 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.516 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 5.4 tptt -69.1 -40.74 78.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -41.62 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.932 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.81 69.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.303 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.715 HD13 HD13 ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.79 85.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -83.58 -20.55 33.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.17 -56.31 9.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.414 ' HE2' HD23 ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.12 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.725 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -128.97 21.53 5.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 110.69 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.22 123.62 47.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.569 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 6.8 mm-40 -70.02 143.19 52.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.716 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 83.61 -4.08 83.13 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.788 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.85 92.66 42.27 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.658 -0.127 . . . . 0.0 110.658 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.422 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 92.8 Cg_endo -86.24 161.97 9.91 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.566 2.178 . . . . 0.0 113.012 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -158.98 127.4 5.21 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.084 0.468 . . . . 0.0 111.465 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.5 94.28 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.48 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.3 OUTLIER -123.3 -65.86 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.972 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.8 Cg_endo -72.85 127.35 12.16 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.426 2.084 . . . . 0.0 112.399 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -99.08 124.59 44.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.403 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -158.84 166.46 31.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.369 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -44.5 66.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.267 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -38.45 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.54 -35.7 81.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' C' ' 597' ' ' PRO . . . -60.65 -34.64 74.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -64.64 -35.8 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.378 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.85 -31.63 51.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.549 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 0.8 OUTLIER -62.31 -48.07 81.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.159 0.504 . . . . 0.0 111.839 179.562 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.428 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER -60.32 -39.47 87.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 179.414 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.535 HD22 HG23 ' C' ' 616' ' ' VAL . 3.0 mt -64.26 -37.54 87.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.406 HH22 ' HB3' ' A' ' 611' ' ' GLU . 10.8 ttm180 -64.4 -37.03 86.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.429 HG21 ' HB3' ' C' ' 594' ' ' GLU . 0.0 OUTLIER -66.69 -48.56 68.9 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.634 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.494 ' O ' HD13 ' B' ' 619' ' ' LEU . 3.0 tt0 -63.74 -38.43 91.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.552 HG23 HD22 ' A' ' 612' ' ' LEU . 75.5 t -66.63 -45.11 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -50.01 75.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.313 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.633 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.1 mt-10 -65.43 -29.29 69.96 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.945 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.494 HD13 ' O ' ' B' ' 615' ' ' GLN . 0.0 OUTLIER -61.14 -50.11 74.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -39.02 76.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 28.9 t -67.49 -32.89 74.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 618' ' ' GLU . 96.8 mt -62.45 -49.51 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.598 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.538 HG21 ' SD ' ' A' ' 626' ' ' MET . 5.5 mt -62.54 -35.44 70.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.164 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.29 -45.78 75.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 14.9 p -68.26 -43.11 78.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.999 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.554 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 54.2 mtt -65.21 -36.21 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.554 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.29 99.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.63 -34.16 76.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.56 -46.77 74.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.804 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.44 ' O ' HG13 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -66.57 -36.63 83.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.66 ' HZ3' ' HG3' ' A' ' 633' ' ' GLU . 2.5 mmpt? -65.46 -41.44 93.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.07 93.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.964 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.663 ' HG3' ' HZ3' ' C' ' 631' ' ' LYS . 3.3 mm-40 -62.42 -39.66 94.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.075 0.464 . . . . 0.0 111.881 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.444 HD12 ' HE2' ' B' ' 631' ' ' LYS . 32.9 mt -62.77 -40.57 89.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.475 ' N ' ' HE3' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 -179.551 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.9 -41.81 82.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.73 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' B' ' 635' ' ' LYS . 4.3 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -43.96 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.752 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -40.38 95.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -42.88 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.777 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.44 -40.15 95.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.494 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.15 -32.47 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.226 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.66 ' HG2' ' HD3' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -70.67 -32.72 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.893 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.655 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 3.6 mmtt -71.01 -37.79 72.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 10.2 mtmm -64.27 -50.06 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.16 -38.93 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 111.187 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.606 ' HA ' ' HD3' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.73 -45.98 92.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.018 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -41.59 80.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 2.5 mtm-85 -60.89 -33.71 73.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' C' ' 652' ' ' GLN . 0.2 OUTLIER -63.42 -49.21 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.634 ' HA ' HD23 ' A' ' 651' ' ' LEU . 0.2 OUTLIER -61.76 -39.02 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.166 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.76 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.353 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.27 -43.75 97.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.531 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.554 HG23 HD23 ' A' ' 651' ' ' LEU . 46.4 t -57.63 -46.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.35 -29.12 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -54.51 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.525 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 5.6 tt -64.42 -26.9 41.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.663 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.524 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 5.4 tptt -69.06 -40.77 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -41.66 98.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.8 85.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.64 -20.56 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.15 -56.36 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.411 ' HE2' HD23 ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.088 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -128.99 21.58 5.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.379 . . . . 0.0 110.655 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.22 123.63 47.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.588 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 6.8 mm-40 -70.01 143.18 52.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.681 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 83.56 -4.05 83.13 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.765 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 92.72 42.59 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.428 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 91.3 Cg_endo -86.15 161.88 10.04 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.631 2.22 . . . . 0.0 113.027 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -158.94 127.42 5.24 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.087 0.47 . . . . 0.0 111.484 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.45 94.22 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.545 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.469 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.3 OUTLIER -123.31 -65.81 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.989 179.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.7 Cg_endo -72.85 127.32 12.14 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.413 2.076 . . . . 0.0 112.405 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.99 124.59 44.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.383 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.732 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -158.84 166.46 31.85 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.347 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.73 -44.48 66.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -38.39 84.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.61 -35.65 81.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.63 -34.75 74.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -64.61 -35.76 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.394 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.85 -31.59 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.543 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 0.8 OUTLIER -62.38 -48.12 81.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.153 0.502 . . . . 0.0 111.784 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.409 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.5 179.416 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 616' ' ' VAL . 3.0 mt -64.3 -37.49 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 111.126 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.406 HH22 ' HB3' ' B' ' 611' ' ' GLU . 10.8 ttm180 -64.43 -37.06 86.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.432 HG21 ' HB3' ' A' ' 594' ' ' GLU . 0.0 OUTLIER -66.66 -48.62 68.78 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.596 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.485 ' O ' HD13 ' C' ' 619' ' ' LEU . 3.0 tt0 -63.66 -38.38 90.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.992 0.425 . . . . 0.0 111.186 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.535 HG23 HD22 ' B' ' 612' ' ' LEU . 75.1 t -66.65 -45.19 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -50.01 75.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.276 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.647 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.1 mt-10 -65.49 -29.31 69.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.485 HD13 ' O ' ' C' ' 615' ' ' GLN . 0.0 OUTLIER -61.11 -50.22 74.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -39.07 76.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.647 HG13 ' O ' ' C' ' 618' ' ' GLU . 96.8 mt -62.45 -49.48 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.645 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.545 HG21 ' SD ' ' B' ' 626' ' ' MET . 5.5 mt -62.63 -35.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.195 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.39 -45.76 75.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.191 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 14.8 p -68.28 -43.13 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 54.2 mtt -65.19 -36.19 83.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.554 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 0.0 OUTLIER -62.82 -43.36 99.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -67.45 -34.21 76.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -66.63 -46.69 74.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.436 ' O ' HG13 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -66.58 -36.66 83.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.663 ' HZ3' ' HG3' ' B' ' 633' ' ' GLU . 2.5 mmpt? -65.34 -41.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -41.98 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.018 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.651 ' HG3' ' HZ3' ' A' ' 631' ' ' LYS . 3.3 mm-40 -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.84 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.445 HD12 ' HE2' ' C' ' 631' ' ' LYS . 32.4 mt -62.65 -40.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.127 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.483 ' HE3' ' N ' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -61.6 -41.45 97.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.473 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.4 -38.27 90.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.0 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.94 -41.8 81.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.754 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' C' ' 635' ' ' LYS . 4.3 mt -63.19 -41.91 99.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -43.85 93.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -40.28 95.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -42.93 84.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.788 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -40.05 95.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.567 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.22 -32.53 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.186 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.654 ' HG2' ' HD3' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.73 70.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.66 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 3.6 mmtt -70.95 -37.87 72.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 10.2 mtmm -64.23 -50.1 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.08 -39.04 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.022 0.439 . . . . 0.0 111.201 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.606 ' HD3' ' HA ' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.72 -45.88 92.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -41.62 80.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.775 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 2.5 mtm-85 -60.85 -33.83 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 652' ' ' GLN . 0.2 OUTLIER -63.3 -49.27 74.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.785 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.61 ' HA ' HD23 ' B' ' 651' ' ' LEU . 0.2 OUTLIER -61.69 -39.08 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.202 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.73 -43.6 98.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.24 -43.83 96.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.547 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.551 HG23 HD23 ' B' ' 651' ' ' LEU . 46.2 t -57.52 -46.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.27 -29.22 70.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.65 13.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.752 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.516 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 5.6 tt -64.49 -26.76 41.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.656 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.525 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 5.4 tptt -69.17 -40.71 77.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -41.71 98.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.8 69.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.298 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.712 HD13 HD13 ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.71 -37.82 85.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -83.54 -20.62 33.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.11 -56.42 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.402 ' HE2' HD23 ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.797 ' H3 ' ' HA ' ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -78.6 134.06 37.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.911 0.386 . . . . 0.0 110.656 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.489 ' HG3' ' OG1' ' B' ' 625' ' ' THR . 1.8 mtp -130.75 134.47 46.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.553 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.82 -35.14 78.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.58 0.229 . . . . 0.0 110.696 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 101.28 -6.86 56.2 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.76 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.54 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 0.9 OUTLIER 51.42 70.38 2.0 Allowed Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -84.31 -19.43 4.54 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.589 2.193 . . . . 0.0 112.994 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.09 41.75 2.04 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.021 0.439 . . . . 0.0 111.4 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.662 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -64.27 -25.37 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.557 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -79.0 142.34 59.82 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.98 164.27 34.87 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.399 2.066 . . . . 0.0 112.418 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -73.73 152.65 40.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.378 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.36 92.42 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.373 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.641 ' O ' ' HB1' ' A' ' 608' ' ' ALA . 43.2 m -82.96 154.07 24.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -44.7 26.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.879 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.99 -43.02 72.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 604' ' ' SER . . . -62.02 -40.37 95.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 51.6 t -72.9 -34.0 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.57 63.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 111.769 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.27 -39.01 93.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.506 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -67.42 -41.92 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.063 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.578 ' HA ' HD11 ' C' ' 612' ' ' LEU . 3.9 tpp180 -62.29 -41.12 98.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.027 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 38.6 p -67.31 -37.41 83.31 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -69.44 -41.15 76.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 111.107 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 612' ' ' LEU . 45.8 t -71.08 -40.03 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.647 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.0 OUTLIER -61.78 -49.11 77.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.284 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 622' ' ' ILE . 2.6 mm-40 -64.65 -42.01 95.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' B' ' 620' ' ' ARG . 5.7 tp -59.38 -41.22 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.498 ' HA ' HD12 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -59.14 -41.63 88.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.76 -34.81 78.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.599 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 618' ' ' GLU . 31.2 mt -69.68 -31.49 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.584 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 619' ' ' LEU . 0.8 OUTLIER -67.98 -49.17 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.242 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -61.76 -43.56 98.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.808 ' HA ' ' H3 ' ' C' ' 591' ' ' GLY . 34.9 m -67.84 -40.81 83.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.011 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.584 ' HG3' ' HG3' ' B' ' 627' ' ' LYS . 14.3 ttm -68.2 -38.38 81.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.599 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 9.1 tttt -65.4 -48.69 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -32.81 71.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.076 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 625' ' ' THR . 1.9 mt-30 -65.14 -43.13 92.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.544 ' HG2' ' N ' ' A' ' 631' ' ' LYS . 0.4 OUTLIER -67.8 -36.74 80.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.593 ' O ' HG13 ' A' ' 634' ' ' ILE . 10.5 mttm -68.23 -39.02 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.32 -41.85 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.935 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.41 -51.63 64.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.129 0.49 . . . . 0.0 111.89 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.3 pp -61.58 -36.19 71.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.15 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.69 -42.63 99.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.411 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -42.02 91.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.016 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.688 ' HG ' HD22 ' B' ' 638' ' ' LEU . 1.8 mt -62.06 -41.11 97.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.691 HD22 ' HG ' ' C' ' 637' ' ' LEU . 9.7 mt -62.5 -38.83 91.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.06 -44.02 90.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.848 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -37.0 80.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.799 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -38.3 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.578 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.3 -45.45 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.252 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.61 ' HG3' ' HD3' ' B' ' 645' ' ' LYS . 3.2 tt0 -68.38 -22.55 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.941 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.61 ' HD3' ' HG3' ' C' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.28 3.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.716 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.62 -44.38 85.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.529 HD13 HH12 ' A' ' 650' ' ' ARG . 0.5 OUTLIER -64.16 -38.9 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.062 0.458 . . . . 0.0 111.241 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.62 HH12 HD13 ' A' ' 649' ' ' LEU . 7.4 tmm_? -64.98 -41.56 95.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . 0.62 HD13 HH12 ' A' ' 648' ' ' ARG . 0.2 OUTLIER -64.57 -41.41 96.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.529 HH12 HD13 ' A' ' 647' ' ' ILE . 0.4 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.737 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' B' ' 652' ' ' GLN . 23.0 tp -66.35 -37.66 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.724 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.448 ' HA ' HD13 ' C' ' 651' ' ' LEU . 6.5 mm-40 -57.8 -44.2 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.186 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.29 -44.45 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.84 -47.96 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.489 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 20.3 t -58.6 -37.86 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.101 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -45.14 93.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.746 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.478 ' CD1' ' HG2' ' B' ' 659' ' ' LYS . 1.3 mt -69.14 -32.28 53.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.642 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.558 ' HD2' HE21 ' A' ' 663' ' ' GLN . 0.5 OUTLIER -68.31 -49.44 60.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.4 93.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.81 76.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.345 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.539 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . 0.558 HE21 ' HD2' ' A' ' 659' ' ' LYS . 5.3 mt-30 -82.87 -19.8 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -54.18 7.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.812 ' H3 ' ' HA ' ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -78.58 134.01 37.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.649 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.488 ' HG3' ' OG1' ' C' ' 625' ' ' THR . 1.8 mtp -130.78 134.45 46.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.567 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.71 -35.18 78.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.76 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 101.26 -6.83 56.24 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.779 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.556 ' HA ' ' HD3' ' C' ' 617' ' ' ARG . 0.9 OUTLIER 51.37 70.35 2.02 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 110.621 -0.14 . . . . 0.0 110.621 179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -84.29 -19.4 4.57 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.596 2.197 . . . . 0.0 113.063 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.14 41.71 2.06 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.059 0.457 . . . . 0.0 111.412 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.639 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -64.17 -25.47 68.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.616 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.95 142.26 59.97 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.963 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.97 164.33 34.77 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.409 2.073 . . . . 0.0 112.395 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -73.88 152.77 40.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.307 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.44 91.9 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.309 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.632 ' O ' ' HB1' ' B' ' 608' ' ' ALA . 43.1 m -82.85 154.08 24.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.9 -44.7 26.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.9 -43.14 72.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.17 -34.95 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' B' ' 604' ' ' SER . . . -62.02 -40.34 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.428 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 51.2 t -72.85 -34.1 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.617 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.54 63.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 111.815 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -39.06 93.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.44 -41.89 84.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 111.14 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.57 ' HA ' HD11 ' A' ' 612' ' ' LEU . 3.9 tpp180 -62.16 -41.31 98.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.43 83.68 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.694 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -69.4 -41.16 76.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.146 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 612' ' ' LEU . 45.9 t -71.1 -39.97 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.662 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -61.78 -49.14 77.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.299 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.465 ' O ' HG13 ' B' ' 622' ' ' ILE . 2.7 mm-40 -64.59 -42.07 95.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' C' ' 620' ' ' ARG . 5.7 tp -59.37 -41.18 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.507 ' HA ' HD12 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -59.17 -41.66 88.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.63 -34.92 78.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 618' ' ' GLU . 31.3 mt -69.64 -31.52 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.556 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.44 HD13 ' O ' ' B' ' 619' ' ' LEU . 0.8 OUTLIER -67.99 -49.2 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.319 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 625' ' ' THR . . . . . 0.797 ' HA ' ' H3 ' ' A' ' 591' ' ' GLY . 35.4 m -67.8 -40.83 83.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.032 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.592 ' HG3' ' HG3' ' C' ' 627' ' ' LYS . 14.3 ttm -68.15 -38.42 82.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.584 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 9.2 tttt -65.45 -48.7 71.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.052 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -32.91 71.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.065 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' B' ' 625' ' ' THR . 1.9 mt-30 -65.16 -43.15 92.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.551 ' HG2' ' N ' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -67.85 -36.65 80.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.593 ' O ' HG13 ' B' ' 634' ' ' ILE . 10.4 mttm -68.19 -39.11 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -66.25 -41.82 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.978 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.53 -51.47 65.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.03 0.443 . . . . 0.0 111.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.593 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.3 pp -61.69 -36.21 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.079 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.491 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -41.95 91.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.674 ' HG ' HD22 ' C' ' 638' ' ' LEU . 1.8 mt -62.07 -41.29 98.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.688 HD22 ' HG ' ' A' ' 637' ' ' LEU . 9.8 mt -62.4 -38.82 91.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -46.84 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.985 0.422 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.72 -36.92 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.799 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -38.23 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.491 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.34 -45.41 91.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.241 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.602 ' HG3' ' HD3' ' C' ' 645' ' ' LYS . 3.2 tt0 -68.39 -22.63 64.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.61 ' HD3' ' HG3' ' A' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.31 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.723 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.57 -44.33 85.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.531 HD13 HH12 ' B' ' 650' ' ' ARG . 0.5 OUTLIER -64.2 -38.95 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.065 0.46 . . . . 0.0 111.186 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.625 HH12 HD13 ' B' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.048 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . 0.625 HD13 HH12 ' B' ' 648' ' ' ARG . 0.2 OUTLIER -64.56 -41.37 96.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.531 HH12 HD13 ' B' ' 647' ' ' ILE . 0.4 OUTLIER -61.33 -42.06 98.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' C' ' 652' ' ' GLN . 23.1 tp -66.39 -37.62 85.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.429 ' HA ' HD13 ' A' ' 651' ' ' LEU . 6.5 mm-40 -57.82 -44.28 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.141 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.16 -44.51 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.362 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -47.95 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.545 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 20.0 t -58.58 -37.79 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 111.22 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.77 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -45.11 93.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.477 ' CD1' ' HG2' ' C' ' 659' ' ' LYS . 1.3 mt -69.07 -32.33 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.65 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.567 ' HD2' HE21 ' B' ' 663' ' ' GLN . 0.5 OUTLIER -68.24 -49.41 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 111.109 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -45.45 93.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.86 76.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.467 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . 0.567 HE21 ' HD2' ' B' ' 659' ' ' LYS . 5.2 mt-30 -82.79 -19.84 36.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -54.18 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.808 ' H3 ' ' HA ' ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -78.6 133.95 37.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 0.0 110.616 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.483 ' HG3' ' OG1' ' A' ' 625' ' ' THR . 1.8 mtp -130.72 134.54 46.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.581 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.85 -35.12 78.01 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.712 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 101.34 -6.89 56.07 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.727 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 617' ' ' ARG . 0.9 OUTLIER 51.38 70.41 1.98 Allowed Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -84.33 -19.43 4.52 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.578 2.185 . . . . 0.0 113.009 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.02 41.63 2.05 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 111.409 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.647 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -64.2 -25.38 68.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.561 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -79.03 142.33 59.7 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.959 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.0 164.3 34.79 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.472 2.115 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -73.78 152.65 40.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.383 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.42 92.36 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.038 0.447 . . . . 0.0 111.395 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.633 ' O ' ' HB1' ' C' ' 608' ' ' ALA . 43.4 m -82.96 154.06 24.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.177 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.87 -44.7 26.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.896 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.91 -43.11 72.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.94 79.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' C' ' 604' ' ' SER . . . -62.03 -40.41 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.389 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 51.9 t -72.85 -34.12 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.39 -52.44 63.59 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.129 0.49 . . . . 0.0 111.783 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.23 -39.15 93.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.432 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.38 -41.88 84.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.722 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.577 ' HA ' HD11 ' B' ' 612' ' ' LEU . 3.9 tpp180 -62.21 -41.29 98.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.44 83.71 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.69 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -69.41 -41.18 76.74 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.981 0.42 . . . . 0.0 111.145 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.429 HG22 ' O ' ' C' ' 612' ' ' LEU . 46.1 t -71.07 -40.05 75.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.639 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -61.73 -49.16 77.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.333 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.477 ' HG2' ' HE3' ' B' ' 599' ' ' MET . 2.6 mm-40 -64.59 -42.06 95.84 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 620' ' ' ARG . 5.8 tp -59.37 -41.14 88.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.039 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -59.11 -41.79 88.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.67 -34.78 78.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.602 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.473 HG13 ' O ' ' C' ' 618' ' ' GLU . 31.1 mt -69.68 -31.53 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.443 HD13 ' O ' ' C' ' 619' ' ' LEU . 0.8 OUTLIER -67.94 -49.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.292 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -61.76 -43.54 98.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 625' ' ' THR . . . . . 0.812 ' HA ' ' H3 ' ' B' ' 591' ' ' GLY . 35.0 m -67.82 -40.85 83.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.035 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.599 ' HG3' ' HG3' ' A' ' 627' ' ' LYS . 14.2 ttm -68.06 -38.45 82.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.592 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 9.1 tttt -65.44 -48.72 71.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -32.88 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' C' ' 625' ' ' THR . 1.9 mt-30 -65.1 -43.13 93.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.556 ' HG2' ' N ' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -67.83 -36.69 80.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.587 ' O ' HG13 ' C' ' 634' ' ' ILE . 10.4 mttm -68.18 -39.11 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.23 -41.82 89.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.008 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.49 -51.52 65.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.858 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.587 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.3 pp -61.64 -36.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.039 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.52 -42.68 99.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.51 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.03 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.96 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.691 ' HG ' HD22 ' A' ' 638' ' ' LEU . 1.8 mt -61.99 -41.23 97.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.674 HD22 ' HG ' ' B' ' 637' ' ' LEU . 9.7 mt -62.41 -38.87 91.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -46.84 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.777 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -43.93 90.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -36.89 80.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.769 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -38.17 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.47 -45.31 91.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.208 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.61 ' HG3' ' HD3' ' A' ' 645' ' ' LYS . 3.2 tt0 -68.48 -22.61 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.602 ' HD3' ' HG3' ' B' ' 644' ' ' GLU . 2.8 mmtm -70.36 -58.23 3.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.66 -44.38 85.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.524 HD13 HH12 ' C' ' 650' ' ' ARG . 0.5 OUTLIER -64.14 -39.0 83.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.168 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.633 HH12 HD13 ' C' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.49 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . 0.633 HD13 HH12 ' C' ' 648' ' ' ARG . 0.2 OUTLIER -64.62 -41.37 96.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.735 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.524 HH12 HD13 ' C' ' 647' ' ' ILE . 0.4 OUTLIER -61.27 -42.1 98.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.724 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 652' ' ' GLN . 23.1 tp -66.43 -37.62 85.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.442 ' HA ' HD13 ' B' ' 651' ' ' LEU . 6.5 mm-40 -57.78 -44.23 86.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.23 -44.48 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.294 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -47.93 83.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.491 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 20.0 t -58.59 -37.86 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.153 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.79 95.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 659' ' ' LYS . 1.3 mt -69.11 -32.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.666 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.564 ' HD2' HE21 ' C' ' 663' ' ' GLN . 0.5 OUTLIER -68.23 -49.39 61.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.86 76.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.392 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . 0.564 HE21 ' HD2' ' C' ' 659' ' ' LYS . 5.2 mt-30 -82.88 -19.86 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.798 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -54.16 7.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.579 ' H3 ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.65 80.03 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 0.0 110.663 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 3.2 ttp -156.22 134.51 11.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.631 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.97 125.83 26.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.753 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.09 -4.66 83.1 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.778 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.534 ' HZ3' ' HA3' ' A' ' 591' ' ' GLY . 0.0 OUTLIER -106.21 99.4 23.34 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 110.591 -0.151 . . . . 0.0 110.591 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.609 ' HB3' HH22 ' A' ' 613' ' ' ARG . 93.2 Cg_endo -86.03 171.27 8.06 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.57 2.18 . . . . 0.0 113.056 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.55 ' HG2' ' HB3' ' C' ' 604' ' ' SER . 0.0 OUTLIER -171.17 128.95 0.72 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.046 0.451 . . . . 0.0 111.407 -179.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.436 ' HE1' ' OE1' ' A' ' 610' ' ' GLU . 12.4 mtt -128.39 97.45 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.553 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.0 OUTLIER -122.76 -69.41 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.954 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.5 Cg_endo -75.22 136.04 19.45 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.471 2.114 . . . . 0.0 112.417 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -102.38 109.95 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.343 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.587 ' C ' ' H3 ' ' B' ' 591' ' ' GLY . . . -148.78 167.72 24.85 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.313 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.575 ' HB3' ' HG2' ' B' ' 598' ' ' LYS . 0.0 OUTLIER -53.59 -36.6 62.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 -179.657 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.414 ' HA ' HE21 ' B' ' 606' ' ' GLN . 19.0 t -63.62 -40.43 96.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.976 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' A' ' 610' ' ' GLU . 1.3 mm-40 -71.26 -33.35 69.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.477 ' HB3' ' H1 ' ' B' ' 591' ' ' GLY . . . -60.22 -41.45 93.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.1 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.432 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.83 -35.87 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 606' ' ' GLN . 3.9 mm-40 -62.7 -43.65 98.25 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.162 0.505 . . . . 0.0 111.75 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.496 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.2 OUTLIER -62.99 -42.49 99.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.4 mt -65.07 -35.8 82.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.111 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.817 ' HA ' HD21 ' C' ' 612' ' ' LEU . 18.3 ttm180 -64.82 -39.93 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -44.05 85.28 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.607 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.34 -41.42 80.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.177 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.679 HG23 HD22 ' C' ' 612' ' ' LEU . 40.0 t -59.71 -44.36 93.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.08 -43.63 98.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.317 -179.655 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.36 -35.3 80.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.422 HD23 HD12 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.93 -43.41 94.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.71 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.52 84.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -29.95 68.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.61 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.37 -49.02 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.9 mt -59.38 -43.88 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.84 -45.7 92.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.271 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.66 -42.73 98.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.413 ' SD ' HG23 ' B' ' 623' ' ' ILE . 19.1 mtt -63.8 -37.31 86.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.431 ' HD3' ' NE2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -69.63 -37.49 76.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.49 91.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -64.82 -50.43 66.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.422 ' NE2' ' HD3' ' B' ' 627' ' ' LYS . 0.7 OUTLIER -63.55 -40.92 98.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.527 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 0.2 OUTLIER -58.18 -44.57 88.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.978 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -36.89 83.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.065 0.46 . . . . 0.0 111.893 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.647 HG22 HD11 ' A' ' 638' ' ' LEU . 5.6 mt -65.34 -35.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.105 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -64.81 -43.0 94.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.417 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -64.73 -39.38 93.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' B' ' 637' ' ' LEU . 1.3 mt -63.27 -42.93 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.647 HD11 HG22 ' A' ' 634' ' ' ILE . 8.3 mt -63.69 -44.69 92.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.169 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -40.22 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.781 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . 0.472 ' O ' ' HE2' ' A' ' 646' ' ' LYS . 0.8 OUTLIER -61.21 -36.74 80.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.544 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.416 ' CD ' HD11 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -67.81 -40.28 83.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.289 179.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -63.25 -37.32 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.87 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.576 ' HA ' ' OE2' ' C' ' 644' ' ' GLU . 10.6 mmtt -62.68 -50.67 70.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 642' ' ' ASP . 3.7 mtmm -56.19 -53.91 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.446 HG22 ' HD3' ' B' ' 648' ' ' ARG . 7.5 mt -57.9 -40.77 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.063 0.459 . . . . 0.0 111.199 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.462 ' HD3' HG22 ' C' ' 647' ' ' ILE . 5.0 tmm_? -64.75 -36.22 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.01 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.67 -46.39 85.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.437 ' HD2' ' HA ' ' A' ' 647' ' ' ILE . 5.3 mtt180 -63.3 -31.32 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -62.34 -51.34 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.603 ' HA ' HD23 ' C' ' 651' ' ' LEU . 2.7 tt0 -59.34 -35.38 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.209 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.23 -43.92 93.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.343 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.47 -42.36 99.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 651' ' ' LEU . 28.3 t -63.59 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.58 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.59 64.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.757 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' B' ' 659' ' ' LYS . 8.5 tt -65.21 -36.41 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.636 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.571 ' HA ' HD11 ' C' ' 658' ' ' ILE . 2.2 tptt -60.81 -43.51 98.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.814 0.34 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -45.17 89.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.64 81.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.331 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.49 ' HA ' ' HD3' ' A' ' 665' ' ' LYS . 0.0 OUTLIER -72.19 -29.14 63.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -28.06 38.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m -75.44 -43.13 51.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.067 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.587 ' H3 ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.71 79.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.969 0.414 . . . . 0.0 110.673 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 3.2 ttp -156.23 134.59 11.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.54 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.04 125.9 26.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.718 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.09 -4.68 83.11 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.8 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.549 ' HZ3' ' HA3' ' B' ' 591' ' ' GLY . 0.0 OUTLIER -106.18 99.41 23.3 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 110.676 -0.12 . . . . 0.0 110.676 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.621 ' HB3' HH22 ' B' ' 613' ' ' ARG . 92.9 Cg_endo -86.03 171.29 8.07 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.546 2.164 . . . . 0.0 112.997 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' A' ' 604' ' ' SER . 0.0 OUTLIER -171.18 128.98 0.72 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.038 0.447 . . . . 0.0 111.417 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.429 ' HE1' ' OE1' ' B' ' 610' ' ' GLU . 12.4 mtt -128.39 97.39 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.595 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.547 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.0 OUTLIER -122.67 -69.37 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.25 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.994 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.0 Cg_endo -75.3 136.08 19.35 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.414 2.076 . . . . 0.0 112.398 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -102.33 110.01 21.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.338 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.586 ' C ' ' H3 ' ' C' ' 591' ' ' GLY . . . -148.82 167.66 25.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.561 ' HB3' ' HG2' ' C' ' 598' ' ' LYS . 0.0 OUTLIER -53.55 -36.52 61.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.418 ' HA ' HE21 ' C' ' 606' ' ' GLN . 18.8 t -63.73 -40.45 96.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.895 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' B' ' 610' ' ' GLU . 1.3 mm-40 -71.25 -33.24 69.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.481 ' HB3' ' H1 ' ' C' ' 591' ' ' GLY . . . -60.29 -41.44 93.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.24 84.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.82 -35.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' B' ' 606' ' ' GLN . 3.9 mm-40 -62.63 -43.65 98.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.253 0.549 . . . . 0.0 111.782 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.498 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.2 OUTLIER -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.447 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.4 mt -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.831 ' HA ' HD21 ' A' ' 612' ' ' LEU . 18.3 ttm180 -64.79 -40.02 94.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.06 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -44.05 85.71 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.671 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.29 -41.57 80.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.02 0.438 . . . . 0.0 111.163 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.688 HG23 HD22 ' A' ' 612' ' ' LEU . 40.1 t -59.64 -44.3 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.12 -43.59 97.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.311 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.39 -35.26 80.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.408 HD23 HD12 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -60.04 -43.32 95.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.689 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.56 84.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -30.08 69.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 8.6 mt -65.23 -49.14 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.9 mt -59.25 -43.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.243 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.9 -45.74 92.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -42.78 98.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.404 ' SD ' HG23 ' C' ' 623' ' ' ILE . 19.2 mtt -63.72 -37.32 86.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.422 ' HD3' ' NE2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -69.53 -37.59 77.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.077 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.45 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -64.77 -50.52 66.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.422 ' NE2' ' HD3' ' C' ' 627' ' ' LYS . 0.7 OUTLIER -63.51 -40.91 98.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 0.2 OUTLIER -58.06 -44.62 87.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.945 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -36.87 83.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 111.887 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.64 HG22 HD11 ' B' ' 638' ' ' LEU . 5.6 mt -65.31 -35.51 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.057 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -64.67 -43.12 94.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.58 -39.45 93.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.602 ' HB3' HD22 ' A' ' 637' ' ' LEU . 1.3 mt -63.26 -43.0 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.718 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.64 HD11 HG22 ' B' ' 634' ' ' ILE . 8.3 mt -63.61 -44.7 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -43.24 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.7 -43.5 97.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.787 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . 0.472 ' O ' ' HE2' ' B' ' 646' ' ' LYS . 0.8 OUTLIER -61.13 -36.79 80.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.541 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.414 ' CD ' HD11 ' B' ' 647' ' ' ILE . 0.2 OUTLIER -67.87 -40.3 83.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.254 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.561 ' OE2' ' HA ' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -63.18 -37.34 86.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.578 ' HA ' ' OE2' ' A' ' 644' ' ' GLU . 10.6 mmtt -62.72 -50.63 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' B' ' 642' ' ' ASP . 3.7 mtmm -56.34 -53.72 53.98 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.464 HG22 ' HD3' ' C' ' 648' ' ' ARG . 7.5 mt -57.9 -40.89 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 121.103 0.477 . . . . 0.0 111.202 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.446 ' HD3' HG22 ' A' ' 647' ' ' ILE . 5.0 tmm_? -64.6 -36.28 83.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.097 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.57 -46.47 85.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.733 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.422 ' HD2' ' HA ' ' B' ' 647' ' ' ILE . 5.3 mtt180 -63.27 -31.28 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -62.47 -51.29 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.612 ' HA ' HD23 ' A' ' 651' ' ' LEU . 2.7 tt0 -59.41 -35.3 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.152 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.32 -43.99 92.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.27 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.33 -42.43 99.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.533 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 651' ' ' LEU . 27.4 t -63.49 -38.89 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 111.266 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -71.44 -34.35 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -50.58 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' C' ' 659' ' ' LYS . 8.5 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.637 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.588 ' HA ' HD11 ' A' ' 658' ' ' ILE . 2.2 tptt -60.68 -43.6 97.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.772 0.32 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -45.18 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.65 81.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.297 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.486 ' HA ' ' HD3' ' B' ' 665' ' ' LYS . 0.0 OUTLIER -72.14 -29.12 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.561 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -28.01 38.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.3 m -75.37 -43.18 51.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.586 ' H3 ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 80.08 1.77 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.922 0.391 . . . . 0.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 3.2 ttp -156.3 134.54 11.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.578 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.09 125.9 26.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.656 0.265 . . . . 0.0 110.692 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.11 -4.71 83.09 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.806 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.546 ' HZ3' ' HA3' ' C' ' 591' ' ' GLY . 0.0 OUTLIER -106.2 99.43 23.47 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.598 ' HB3' HH22 ' C' ' 613' ' ' ARG . 93.0 Cg_endo -86.09 171.27 8.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.555 2.17 . . . . 0.0 113.025 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' B' ' 604' ' ' SER . 0.0 OUTLIER -171.17 128.94 0.72 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.031 0.443 . . . . 0.0 111.398 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.437 ' HE1' ' OE1' ' C' ' 610' ' ' GLU . 12.4 mtt -128.37 97.45 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.554 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.0 OUTLIER -122.74 -69.38 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.012 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.8 Cg_endo -75.22 136.03 19.45 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.445 2.097 . . . . 0.0 112.376 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -102.32 110.07 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.411 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.579 ' C ' ' H3 ' ' A' ' 591' ' ' GLY . . . -148.84 167.62 25.17 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.353 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.55 ' HB3' ' HG2' ' A' ' 598' ' ' LYS . 0.0 OUTLIER -53.52 -36.58 61.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 -179.66 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.411 ' HA ' HE21 ' A' ' 606' ' ' GLN . 18.6 t -63.63 -40.48 96.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' C' ' 610' ' ' GLU . 1.3 mm-40 -71.27 -33.2 69.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.479 ' HB3' ' H1 ' ' A' ' 591' ' ' GLY . . . -60.31 -41.44 93.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.11 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.85 -35.8 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' C' ' 606' ' ' GLN . 3.9 mm-40 -62.73 -43.63 98.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.496 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.2 OUTLIER -63.09 -42.43 99.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.398 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.817 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.4 mt -65.09 -35.82 82.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.824 ' HA ' HD21 ' B' ' 612' ' ' LEU . 18.3 ttm180 -64.83 -39.91 94.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -44.08 85.2 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.598 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.27 -41.53 80.93 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.056 0.455 . . . . 0.0 111.135 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.665 HG23 HD22 ' B' ' 612' ' ' LEU . 39.8 t -59.79 -44.3 93.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.07 -43.6 98.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.339 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.34 -35.34 80.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.015 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -58.88 -40.5 84.55 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -30.02 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.561 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.3 -49.0 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.025 0.441 . . . . 0.0 111.612 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.9 mt -59.39 -43.96 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.196 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.83 -45.68 92.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.7 -42.74 97.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 19.2 mtt -63.76 -37.34 87.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.422 ' HD3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -69.57 -37.49 77.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -65.76 -39.45 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.997 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -64.83 -50.49 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.758 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.431 ' NE2' ' HD3' ' A' ' 627' ' ' LYS . 0.7 OUTLIER -63.48 -40.93 98.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.966 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' C' ' 631' ' ' LYS . 0.2 OUTLIER -58.09 -44.63 87.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -36.84 83.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.851 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.649 HG22 HD11 ' C' ' 638' ' ' LEU . 5.6 mt -65.38 -35.47 75.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.068 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -64.66 -43.02 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.448 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.73 -39.49 93.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 637' ' ' LEU . 1.3 mt -63.22 -43.01 99.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.796 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.649 HD11 HG22 ' C' ' 634' ' ' ILE . 8.3 mt -63.58 -44.66 93.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.784 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.67 -43.54 97.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.993 0.425 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -40.18 96.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.752 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HE2' ' C' ' 646' ' ' LYS . 0.8 OUTLIER -61.24 -36.76 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.488 -179.322 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.409 ' CD ' HD11 ' C' ' 647' ' ' ILE . 0.2 OUTLIER -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.246 179.254 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -63.2 -37.33 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.561 ' HA ' ' OE2' ' B' ' 644' ' ' GLU . 10.6 mmtt -62.67 -50.64 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' C' ' 642' ' ' ASP . 3.7 mtmm -56.36 -53.69 54.42 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.267 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.462 HG22 ' HD3' ' A' ' 648' ' ' ARG . 7.5 mt -57.94 -40.9 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 121.04 0.448 . . . . 0.0 111.117 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.464 ' HD3' HG22 ' B' ' 647' ' ' ILE . 5.0 tmm_? -64.68 -36.21 83.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.018 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.64 -46.44 85.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' C' ' 650' ' ' ARG . 5.3 mtt180 -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.704 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -62.42 -51.31 68.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.608 ' HA ' HD23 ' B' ' 651' ' ' LEU . 2.7 tt0 -59.43 -35.32 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.255 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.22 -43.99 93.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.283 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.45 -42.33 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.515 HG23 ' O ' ' C' ' 651' ' ' LEU . 27.6 t -63.54 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.57 -34.24 69.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.51 64.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 659' ' ' LYS . 8.5 tt -65.33 -36.32 77.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.681 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.577 ' HA ' HD11 ' B' ' 658' ' ' ILE . 2.2 tptt -60.72 -43.59 97.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.836 0.35 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.27 89.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.66 81.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.304 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.489 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 0.0 OUTLIER -72.16 -29.04 63.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.93 37.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m -75.54 -42.98 51.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.779 ' H3 ' ' HA ' ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.591 -0.203 . . . . 0.0 112.591 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.479 ' HB2' ' OD2' ' B' ' 628' ' ' ASP . 46.0 m170 -76.82 170.84 15.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 110.578 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.51 148.59 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.58 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.444 ' H ' ' HA ' ' B' ' 621' ' ' SER . 0.3 OUTLIER -60.46 -44.53 95.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.749 -179.809 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.33 -19.07 32.34 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.806 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.563 ' HG3' ' HB3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER 49.84 68.62 3.28 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.82 -17.09 3.33 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.636 2.224 . . . . 0.0 112.937 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.82 66.63 1.54 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.024 0.44 . . . . 0.0 111.455 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 1.4 mtt -69.76 -27.53 65.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.8 140.6 21.35 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.997 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.4 ' HB2' ' HB3' ' A' ' 608' ' ' ALA . 67.3 Cg_endo -73.59 175.05 11.21 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.477 2.118 . . . . 0.0 112.339 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -75.02 169.11 18.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.398 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.91 -34.15 76.83 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.372 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.81 ' HB3' ' HB3' ' A' ' 607' ' ' ALA . 6.3 t -77.76 130.18 36.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.2 p -70.76 -35.79 72.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -46.94 42.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.81 ' HB3' ' HB3' ' A' ' 604' ' ' SER . . . -62.2 -32.46 73.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.819 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 604' ' ' SER . . . -67.17 -40.93 86.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.393 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 605' ' ' SER . 5.8 t -66.46 -44.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -45.98 84.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.192 0.52 . . . . 0.0 111.8 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.85 -32.02 73.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.42 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.472 HD11 HD12 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -66.79 -46.06 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 111.148 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.41 -44.59 92.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.469 ' O ' ' HG3' ' A' ' 618' ' ' GLU . 64.7 p -67.42 -32.83 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.605 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.432 ' HA ' HH12 ' B' ' 620' ' ' ARG . 1.8 mt-30 -62.75 -54.26 41.89 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.429 HG21 HG23 ' B' ' 616' ' ' VAL . 3.1 t -66.96 -33.17 61.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.558 ' HB3' ' HG3' ' C' ' 596' ' ' LYS . 0.1 OUTLIER -63.78 -53.13 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 -179.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 614' ' ' THR . 76.4 mt-10 -64.76 -41.99 95.48 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.531 HD11 ' HG3' ' B' ' 620' ' ' ARG . 10.2 tp -59.7 -40.13 86.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.532 ' HG3' HD11 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.85 -44.94 91.12 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.978 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' SER . . . . . 0.444 ' HA ' ' H ' ' C' ' 594' ' ' GLU . 0.5 OUTLIER -57.11 -41.05 78.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.634 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 619' ' ' LEU . 46.9 mt -64.79 -37.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.611 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.514 HG12 HD12 ' C' ' 623' ' ' ILE . 0.9 OUTLIER -63.67 -43.25 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.272 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -42.53 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.804 ' HA ' ' H3 ' ' C' ' 591' ' ' GLY . 24.4 m -63.22 -43.61 97.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.012 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.5 -36.42 71.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.44 20.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . 0.709 ' HB2' ' H1 ' ' C' ' 591' ' ' GLY . 26.2 m-20 -66.34 -29.87 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' A' ' 625' ' ' THR . 5.9 tt0 -65.02 -44.19 90.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 627' ' ' LYS . 4.5 pt20 -66.42 -35.88 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.474 ' O ' HG13 ' A' ' 634' ' ' ILE . 15.6 mttm -61.85 -47.69 83.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . 0.534 HH21 ' HB3' ' A' ' 628' ' ' ASP . 9.0 mtt180 -67.71 -38.87 84.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.024 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.627 ' HB3' HG23 ' B' ' 634' ' ' ILE . 52.3 mt-10 -58.96 -52.92 63.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' C' ' 633' ' ' GLU . 1.7 pp -68.1 -35.23 70.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.125 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.55 -52.81 63.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.448 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.47 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.784 ' HB3' HD21 ' C' ' 637' ' ' LEU . 0.5 OUTLIER -62.46 -41.51 98.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.607 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.6 -42.37 98.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.811 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.57 -37.17 82.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.008 0.432 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -40.23 80.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.768 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.28 -39.31 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -65.49 -41.51 93.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.217 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.679 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 4.3 tt0 -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.661 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 2.5 mmtt -68.47 -48.1 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -45.03 88.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.263 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 644' ' ' GLU . 4.8 tt -67.08 -36.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.25 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.645 HH11 ' HG3' ' A' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.3 66.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.02 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . 0.418 ' HA ' ' NH1' ' A' ' 648' ' ' ARG . 0.4 OUTLIER -60.74 -41.07 94.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.736 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 647' ' ' ILE . 19.8 mtp180 -59.0 -45.61 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.655 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' B' ' 652' ' ' GLN . 8.7 tp -63.06 -31.45 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.645 ' HG3' HH11 ' A' ' 648' ' ' ARG . 2.7 mm-40 -60.33 -41.86 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.27 89.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 111.363 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 658' ' ' ILE . 16.6 tt0 -62.68 -43.95 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.598 HG12 HG21 ' C' ' 655' ' ' VAL . 81.6 t -57.78 -45.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -38.35 69.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.23 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.741 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.524 HG21 HD13 ' B' ' 662' ' ' LEU . 0.6 OUTLIER -63.01 -34.89 69.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.699 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.439 ' HG2' HD11 ' C' ' 658' ' ' ILE . 0.3 OUTLIER -70.66 -41.27 72.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.048 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -45.65 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.992 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.66 -35.21 70.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.307 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.51 HD13 HG21 ' C' ' 658' ' ' ILE . 1.2 tp -68.03 -31.24 70.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.539 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . 0.428 HE22 ' HZ3' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -80.94 -30.43 35.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.91 -37.5 84.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.794 ' H3 ' ' HA ' ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.478 ' HB2' ' OD2' ' C' ' 628' ' ' ASP . 46.1 m170 -76.78 170.9 15.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.5 148.64 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.546 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.438 ' H ' ' HA ' ' C' ' 621' ' ' SER . 0.3 OUTLIER -60.58 -44.47 96.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.731 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.01 32.39 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.747 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.564 ' HG3' ' HB3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER 49.69 68.71 3.21 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -86.92 -16.93 3.3 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.538 2.158 . . . . 0.0 112.952 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.91 66.65 1.54 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.103 0.478 . . . . 0.0 111.494 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 1.4 mtt -69.75 -27.54 65.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.82 140.63 21.36 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.031 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -73.57 175.06 11.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.502 2.134 . . . . 0.0 112.412 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -75.07 169.16 18.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.403 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.16 76.9 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.303 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.819 ' HB3' ' HB3' ' B' ' 607' ' ' ALA . 6.3 t -77.73 130.16 36.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.502 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.2 p -70.77 -35.81 72.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -46.94 42.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.819 ' HB3' ' HB3' ' B' ' 604' ' ' SER . . . -62.22 -32.47 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' B' ' 604' ' ' SER . . . -67.22 -40.76 86.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 605' ' ' SER . 5.9 t -66.61 -45.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -46.15 83.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.212 0.53 . . . . 0.0 111.796 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.75 -32.07 73.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.472 HD12 HD11 ' A' ' 612' ' ' LEU . 0.0 OUTLIER -66.78 -46.13 76.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.25 -44.68 92.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' B' ' 618' ' ' GLU . 64.9 p -67.39 -32.85 74.04 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.608 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.437 ' HA ' HH12 ' C' ' 620' ' ' ARG . 1.8 mt-30 -62.81 -54.13 43.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.018 0.437 . . . . 0.0 111.184 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.442 HG21 HG23 ' C' ' 616' ' ' VAL . 3.1 t -67.03 -33.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.563 ' HB3' ' HG3' ' A' ' 596' ' ' LYS . 0.1 OUTLIER -63.77 -53.02 57.44 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.36 -179.758 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 614' ' ' THR . 76.4 mt-10 -64.75 -42.08 95.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' C' ' 620' ' ' ARG . 10.3 tp -59.68 -40.23 87.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.531 ' HG3' HD11 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.8 -44.97 90.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.444 ' HA ' ' H ' ' A' ' 594' ' ' GLU . 0.5 OUTLIER -57.22 -40.97 78.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 619' ' ' LEU . 46.5 mt -64.7 -37.63 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 0.0 111.711 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.513 HD12 HG12 ' C' ' 623' ' ' ILE . 0.9 OUTLIER -63.81 -43.13 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.14 -42.57 88.93 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 625' ' ' THR . . . . . 0.779 ' HA ' ' H3 ' ' A' ' 591' ' ' GLY . 24.2 m -63.11 -43.68 97.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.48 -36.39 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.55 19.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . 0.736 ' HB2' ' H1 ' ' A' ' 591' ' ' GLY . 26.2 m-20 -66.18 -29.99 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.017 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.649 ' HB2' ' O ' ' B' ' 625' ' ' THR . 5.9 tt0 -64.97 -44.15 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.762 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 4.5 pt20 -66.5 -35.86 81.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.475 ' O ' HG13 ' B' ' 634' ' ' ILE . 15.6 mttm -61.81 -47.72 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.544 HH21 ' HB3' ' B' ' 628' ' ' ASP . 9.0 mtt180 -67.67 -38.93 84.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.953 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.617 ' HB3' HG23 ' C' ' 634' ' ' ILE . 52.4 mt-10 -58.91 -52.99 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 111.894 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.627 HG23 ' HB3' ' A' ' 633' ' ' GLU . 1.7 pp -68.12 -35.19 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.132 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.51 -52.83 63.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.479 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.53 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' C' ' 637' ' ' LEU . 0.5 OUTLIER -62.38 -41.51 98.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -66.67 -38.08 86.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.735 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.55 -42.4 98.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.786 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.5 -37.29 82.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -40.28 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.767 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.32 -39.3 85.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.471 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -65.53 -41.4 93.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.28 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.667 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 4.2 tt0 -71.95 -28.81 63.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.679 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 2.5 mmtt -68.49 -48.07 65.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.0 88.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' B' ' 644' ' ' GLU . 4.8 tt -67.14 -36.88 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 111.245 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.643 HH11 ' HG3' ' B' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.34 66.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.044 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . 0.416 ' HA ' ' NH1' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.67 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.735 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' B' ' 647' ' ' ILE . 19.9 mtp180 -58.99 -45.57 90.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' C' ' 652' ' ' GLN . 8.7 tp -63.12 -31.41 72.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.643 ' HG3' HH11 ' B' ' 648' ' ' ARG . 2.7 mm-40 -60.36 -41.84 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.149 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.34 -40.29 89.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.358 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.443 ' O ' HG13 ' B' ' 658' ' ' ILE . 16.5 tt0 -62.71 -43.88 97.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.497 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.594 HG21 HG12 ' C' ' 655' ' ' VAL . 81.5 t -57.78 -45.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.22 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -38.3 69.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.54 -47.26 82.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.679 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.527 HG21 HD13 ' C' ' 662' ' ' LEU . 0.6 OUTLIER -63.04 -34.87 69.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.688 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.431 ' HG2' HD11 ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.67 -41.21 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -45.61 84.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.344 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.524 HD13 HG21 ' A' ' 658' ' ' ILE . 1.2 tp -68.0 -31.23 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.571 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . 0.425 HE22 ' HZ3' ' B' ' 659' ' ' LYS . 0.0 OUTLIER -80.97 -30.4 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.91 -37.5 84.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.804 ' H3 ' ' HA ' ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.478 ' HB2' ' OD2' ' A' ' 628' ' ' ASP . 46.3 m170 -76.74 170.89 15.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.375 . . . . 0.0 110.686 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.51 148.57 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.58 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.444 ' H ' ' HA ' ' A' ' 621' ' ' SER . 0.3 OUTLIER -60.55 -44.5 96.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.73 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.02 32.37 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.764 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.558 ' HG3' ' HB3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER 49.66 68.64 3.28 Favored Pre-proline 0 CA--C 1.53 0.2 0 N-CA-C 110.69 -0.115 . . . . 0.0 110.69 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -86.83 -16.98 3.36 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.607 2.205 . . . . 0.0 113.053 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.9 66.62 1.54 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.009 0.433 . . . . 0.0 111.477 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 1.4 mtt -69.78 -27.5 64.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.82 140.56 21.31 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.0 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.411 ' HB2' ' HB3' ' C' ' 608' ' ' ALA . 67.7 Cg_endo -73.55 175.12 11.1 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.41 2.073 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -75.12 169.16 18.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.349 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.18 76.93 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.358 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.829 ' HB3' ' HB3' ' C' ' 607' ' ' ALA . 6.3 t -77.76 130.13 36.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.497 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.2 p -70.7 -35.73 72.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.94 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -47.03 41.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.829 ' HB3' ' HB3' ' C' ' 604' ' ' SER . . . -62.16 -32.39 72.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' C' ' 601' ' ' PRO . . . -67.32 -40.77 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.439 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.497 HG23 ' O ' ' C' ' 605' ' ' SER . 5.8 t -66.55 -44.94 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -46.11 84.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 111.752 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 -32.07 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.47 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.462 HD12 HD11 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -66.79 -46.15 76.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.79 0.329 . . . . 0.0 111.113 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.21 -44.68 92.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' C' ' 618' ' ' GLU . 64.3 p -67.45 -32.79 73.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.609 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.439 ' HA ' HH12 ' A' ' 620' ' ' ARG . 1.8 mt-30 -62.86 -54.2 42.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.965 0.412 . . . . 0.0 111.162 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.442 HG23 HG21 ' B' ' 616' ' ' VAL . 3.2 t -66.96 -33.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.564 ' HB3' ' HG3' ' B' ' 596' ' ' LYS . 0.1 OUTLIER -63.74 -53.13 55.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.299 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' C' ' 614' ' ' THR . 76.4 mt-10 -64.72 -42.03 95.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.532 HD11 ' HG3' ' A' ' 620' ' ' ARG . 10.2 tp -59.69 -40.19 87.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.529 ' HG3' HD11 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.83 -44.97 91.04 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 621' ' ' SER . . . . . 0.438 ' HA ' ' H ' ' B' ' 594' ' ' GLU . 0.5 OUTLIER -57.19 -40.98 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.538 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' C' ' 619' ' ' LEU . 46.7 mt -64.8 -37.63 80.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.646 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -63.73 -43.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.222 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.04 -42.6 89.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 625' ' ' THR . . . . . 0.794 ' HA ' ' H3 ' ' B' ' 591' ' ' GLY . 24.3 m -63.1 -43.58 98.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.036 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.57 -36.35 70.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.51 19.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . 0.739 ' HB2' ' H1 ' ' B' ' 591' ' ' GLY . 26.3 m-20 -66.33 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.045 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.645 ' HB2' ' O ' ' C' ' 625' ' ' THR . 5.9 tt0 -65.05 -44.06 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' C' ' 627' ' ' LYS . 4.5 pt20 -66.51 -35.89 81.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.477 ' O ' HG13 ' C' ' 634' ' ' ILE . 15.5 mttm -61.81 -47.73 83.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . 0.558 HH21 ' HB3' ' C' ' 628' ' ' ASP . 9.0 mtt180 -67.7 -38.88 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.001 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.613 ' HB3' HG23 ' A' ' 634' ' ' ILE . 52.3 mt-10 -58.93 -52.92 63.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.082 0.467 . . . . 0.0 111.884 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.617 HG23 ' HB3' ' B' ' 633' ' ' GLU . 1.7 pp -68.17 -35.19 70.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.118 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.54 -52.79 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -38.49 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 637' ' ' LEU . 0.5 OUTLIER -62.35 -41.6 98.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.747 179.582 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 -179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 22.1 m -63.6 -42.31 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.54 -37.3 82.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.65 -40.25 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.772 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.23 -39.37 86.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.468 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -65.46 -41.47 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.224 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.661 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 4.2 tt0 -71.99 -28.78 63.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.667 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 2.5 mmtt -68.5 -48.06 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.01 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.499 ' CG2' ' HA ' ' C' ' 644' ' ' GLU . 4.8 tt -67.17 -36.97 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.171 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.649 HH11 ' HG3' ' C' ' 652' ' ' GLN . 6.0 tmm_? -70.89 -44.37 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . 0.421 ' HA ' ' NH1' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.64 -41.1 94.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.407 ' NH1' ' HA ' ' C' ' 647' ' ' ILE . 19.8 mtp180 -59.06 -45.54 90.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.662 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.548 HD22 ' HA ' ' A' ' 652' ' ' GLN . 8.7 tp -63.09 -31.52 72.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.649 ' HG3' HH11 ' C' ' 648' ' ' ARG . 2.7 mm-40 -60.24 -41.89 94.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.146 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.26 89.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.449 ' O ' HG13 ' C' ' 658' ' ' ILE . 16.6 tt0 -62.69 -43.91 97.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.478 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.598 HG21 HG12 ' A' ' 655' ' ' VAL . 82.9 t -57.76 -45.78 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.457 . . . . 0.0 111.239 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -38.31 69.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.26 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.744 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.51 HG21 HD13 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -62.99 -34.88 68.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.644 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.439 ' HG2' HD11 ' B' ' 658' ' ' ILE . 0.3 OUTLIER -70.75 -41.21 72.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 111.018 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -45.75 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.32 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.527 HD13 HG21 ' B' ' 658' ' ' ILE . 1.2 tp -68.06 -31.28 70.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . 0.43 HE22 ' HZ3' ' C' ' 659' ' ' LYS . 0.0 OUTLIER -81.01 -30.28 34.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.94 -37.56 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.573 -0.211 . . . . 0.0 112.573 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.583 ' HE2' ' HG2' ' C' ' 599' ' ' MET . 0.2 OUTLIER -142.32 79.58 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.675 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.597 ' HB3' ' HE3' ' A' ' 596' ' ' LYS . 0.0 OUTLIER -158.97 126.59 4.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.608 -179.512 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.46 ' O ' ' HE1' ' A' ' 593' ' ' MET . 13.7 mm-40 -66.15 139.76 58.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.697 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 79.66 3.58 89.04 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.778 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.597 ' HE3' ' HB3' ' A' ' 593' ' ' MET . 0.8 OUTLIER -116.62 105.37 50.13 Favored Pre-proline 0 CA--C 1.53 0.212 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.543 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.0 Cg_endo -86.3 145.44 8.36 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.62 2.214 . . . . 0.0 112.962 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' C' ' 604' ' ' SER . 10.2 ttpt -164.53 132.55 3.36 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.05 0.452 . . . . 0.0 111.399 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.601 ' HG2' ' HE2' ' B' ' 592' ' ' HIS . 3.9 mtt -140.03 120.33 13.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.556 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.546 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.2 OUTLIER -136.63 -61.92 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.944 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.546 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.0 Cg_endo -75.38 138.75 22.54 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.428 2.086 . . . . 0.0 112.37 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -106.83 120.1 41.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.36 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -148.96 156.86 42.89 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.52 ' HA ' ' HE2' ' B' ' 598' ' ' LYS . 51.0 m -49.41 -30.55 8.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -29.21 58.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.79 64.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.3 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.503 ' HB1' ' HE2' ' B' ' 599' ' ' MET . . . -58.85 -44.32 90.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.452 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.421 HG13 HD12 ' C' ' 612' ' ' LEU . 3.0 t -64.92 -38.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.69 -50.81 71.96 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.152 0.501 . . . . 0.0 111.754 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.529 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.5 OUTLIER -62.12 -39.18 91.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' B' ' 613' ' ' ARG . 12.3 mt -61.48 -44.27 97.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 111.076 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.559 ' HA ' HD21 ' C' ' 612' ' ' LEU . 11.2 ttm180 -56.47 -43.84 79.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.019 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -45.78 92.61 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.646 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.518 ' HG2' HG12 ' B' ' 616' ' ' VAL . 3.7 tt0 -64.58 -38.97 92.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 111.203 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.504 HG12 ' HG2' ' C' ' 615' ' ' GLN . 36.2 t -62.45 -50.7 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -47.2 86.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.346 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.3 -31.61 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -50.9 70.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.4 OUTLIER -58.15 -43.14 87.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.25 78.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.64 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 20.1 mt -63.97 -43.74 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.58 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 620' ' ' ARG . 4.6 mt -65.32 -43.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.234 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.43 -42.31 86.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.81 -45.12 72.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.478 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 19.3 mtt -60.98 -37.45 82.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.473 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.7 OUTLIER -65.21 -38.55 90.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.49 -45.65 82.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.61 -48.52 72.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.507 HE21 ' HG2' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -60.3 -44.08 95.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.506 ' HG2' HE21 ' C' ' 630' ' ' GLN . 4.0 mmtm -64.91 -38.18 90.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -41.44 97.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.009 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.27 -44.02 93.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.03 0.443 . . . . 0.0 111.839 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 35.3 mt -63.82 -41.39 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.082 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.53 ' HA ' HD11 ' A' ' 638' ' ' LEU . 4.9 mmpp? -61.61 -37.92 85.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.5 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.3 95.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.992 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' B' ' 638' ' ' LEU . 2.3 mt -62.44 -41.84 99.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 635' ' ' LYS . 2.0 mt -59.53 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -34.46 74.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.4 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.0 OUTLIER -67.05 -44.46 80.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' C' ' 644' ' ' GLU . 1.1 tt -66.26 -31.98 73.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.76 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.38 -50.1 75.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.489 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 643' ' ' GLU . 1.2 mm-40 -64.3 -37.14 86.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.283 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.572 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -61.56 -40.28 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.494 ' O ' HD12 ' A' ' 649' ' ' LEU . 3.5 mttt -66.65 -37.47 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.416 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.84 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 111.187 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.565 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.4 tmm_? -61.49 -47.14 87.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.01 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 645' ' ' LYS . 5.8 mt -56.4 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 33.4 mtt180 -62.15 -37.6 85.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -57.41 -44.98 85.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -65.74 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.122 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 111.28 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.93 -36.25 82.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 651' ' ' LEU . 25.0 t -66.37 -37.29 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.171 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.54 -53.42 48.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.629 HG13 HD21 ' B' ' 662' ' ' LEU . 13.0 tt -65.91 -31.98 56.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.642 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 655' ' ' VAL . 0.4 OUTLIER -65.6 -49.65 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . 0.638 ' HZ3' ' HA ' ' A' ' 660' ' ' LYS . 1.0 OUTLIER -62.51 -43.29 99.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.84 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.33 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.64 HD21 HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -62.52 -32.71 73.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.82 -21.88 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.4 m -71.63 -25.1 62.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.634 ' HG3' ' HZ3' ' C' ' 665' ' ' LYS . 20.8 pttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.599 -0.2 . . . . 0.0 112.599 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.601 ' HE2' ' HG2' ' A' ' 599' ' ' MET . 0.2 OUTLIER -142.26 79.56 1.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.868 0.366 . . . . 0.0 110.666 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.593 ' HB3' ' HE3' ' B' ' 596' ' ' LYS . 0.0 OUTLIER -158.96 126.69 4.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.584 -179.548 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.477 ' O ' ' HE1' ' B' ' 593' ' ' MET . 13.7 mm-40 -66.24 139.78 58.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.726 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 79.59 3.77 89.03 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.771 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.593 ' HE3' ' HB3' ' B' ' 593' ' ' MET . 0.8 OUTLIER -116.77 105.4 49.82 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.529 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 91.5 Cg_endo -86.29 145.41 8.36 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.609 2.206 . . . . 0.0 113.045 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' A' ' 604' ' ' SER . 10.1 ttpt -164.5 132.48 3.36 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.03 0.443 . . . . 0.0 111.439 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.591 ' HG2' ' HE2' ' C' ' 592' ' ' HIS . 3.9 mtt -140.03 120.31 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.554 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -136.59 -61.86 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.974 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.554 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.1 Cg_endo -75.3 138.75 22.73 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.436 2.091 . . . . 0.0 112.355 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -106.87 120.14 41.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.367 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.687 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -148.98 156.79 42.79 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.337 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.505 ' HA ' ' HE2' ' C' ' 598' ' ' LYS . 51.0 m -49.37 -30.54 7.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.23 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -29.2 58.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.896 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -70.98 -28.81 64.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.21 88.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.501 ' HB1' ' HE2' ' C' ' 599' ' ' MET . . . -58.95 -44.29 91.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.462 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.437 HG13 HD12 ' A' ' 612' ' ' LEU . 3.0 t -64.99 -38.2 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.75 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.735 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.536 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.5 OUTLIER -62.23 -39.13 91.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 179.449 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' C' ' 613' ' ' ARG . 12.3 mt -61.54 -44.15 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.799 0.333 . . . . 0.0 111.111 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.548 ' HA ' HD21 ' A' ' 612' ' ' LEU . 11.2 ttm180 -56.56 -43.77 80.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -45.75 92.89 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.514 ' HG2' HG12 ' C' ' 616' ' ' VAL . 3.7 tt0 -64.57 -39.05 93.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 111.147 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.518 HG12 ' HG2' ' A' ' 615' ' ' GLN . 35.8 t -62.41 -50.63 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -59.81 -47.12 86.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.31 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.45 -31.43 72.64 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.979 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -50.89 70.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.99 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.3 OUTLIER -58.16 -43.09 87.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.85 -36.32 78.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 20.1 mt -64.0 -43.68 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.57 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' B' ' 620' ' ' ARG . 4.6 mt -65.33 -43.8 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -42.27 86.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.8 -45.07 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.485 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 19.2 mtt -61.05 -37.43 82.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.478 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.7 OUTLIER -65.29 -38.51 90.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.021 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.48 -45.64 82.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.57 -48.56 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.5 HE21 ' HG2' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -60.26 -44.12 95.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.507 ' HG2' HE21 ' A' ' 630' ' ' GLN . 4.0 mmtm -64.79 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -41.4 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.974 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.34 -44.08 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 0.0 111.808 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 35.0 mt -63.76 -41.32 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.162 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.541 ' HA ' HD11 ' B' ' 638' ' ' LEU . 4.9 mmpp? -61.76 -37.81 85.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.478 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -40.32 95.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.446 HD12 ' HG ' ' C' ' 638' ' ' LEU . 2.3 mt -62.39 -41.8 98.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' B' ' 635' ' ' LYS . 2.0 mt -59.51 -50.06 75.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -34.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.402 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.0 OUTLIER -67.08 -44.39 80.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.866 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 644' ' ' GLU . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.75 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -59.33 -50.11 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.489 ' HA ' ' OE1' ' B' ' 643' ' ' GLU . 1.2 mm-40 -64.37 -37.19 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.2 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.562 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.0 OUTLIER -61.44 -40.39 94.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.505 ' O ' HD12 ' B' ' 649' ' ' LEU . 3.5 mttt -66.58 -37.54 85.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.681 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.413 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -62.31 -47.66 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.87 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.21 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.572 HH21 ' HG2' ' A' ' 644' ' ' GLU . 4.4 tmm_? -61.41 -47.15 87.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 645' ' ' LYS . 5.8 mt -56.38 -46.63 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.739 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 33.1 mtt180 -62.14 -37.58 85.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -57.46 -45.07 85.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.737 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -65.61 -34.4 78.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -43.85 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.03 -36.23 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 651' ' ' LEU . 25.1 t -66.4 -37.24 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.58 -43.28 97.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.4 -53.43 48.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.64 HG13 HD21 ' C' ' 662' ' ' LEU . 13.0 tt -66.07 -31.79 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.678 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 655' ' ' VAL . 0.4 OUTLIER -65.74 -49.62 67.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . 0.622 ' HA ' ' HZ3' ' B' ' 660' ' ' LYS . 1.0 OUTLIER -62.49 -43.29 99.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.66 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.304 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.629 HD21 HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -62.57 -32.73 73.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.514 179.506 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.82 -21.83 34.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m -71.75 -24.98 61.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.645 ' HZ3' ' HG3' ' C' ' 665' ' ' LYS . 20.8 pttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.582 -0.207 . . . . 0.0 112.582 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.591 ' HE2' ' HG2' ' B' ' 599' ' ' MET . 0.2 OUTLIER -142.32 79.56 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.668 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.577 ' HB3' ' HE3' ' C' ' 596' ' ' LYS . 0.0 OUTLIER -158.99 126.63 4.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.563 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.47 ' O ' ' HE1' ' C' ' 593' ' ' MET . 13.7 mm-40 -66.16 139.75 58.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.706 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 79.65 3.65 89.06 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.801 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.577 ' HE3' ' HB3' ' C' ' 593' ' ' MET . 0.8 OUTLIER -116.71 105.35 50.0 Favored Pre-proline 0 CA--C 1.531 0.219 0 N-CA-C 110.637 -0.134 . . . . 0.0 110.637 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.536 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 91.9 Cg_endo -86.31 145.35 8.31 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.607 2.205 . . . . 0.0 113.063 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' B' ' 604' ' ' SER . 10.2 ttpt -164.45 132.56 3.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.075 0.464 . . . . 0.0 111.451 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.583 ' HG2' ' HE2' ' A' ' 592' ' ' HIS . 3.9 mtt -140.04 120.43 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.513 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.558 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -136.66 -61.92 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.003 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.558 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.3 Cg_endo -75.35 138.73 22.58 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.397 2.065 . . . . 0.0 112.368 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -106.79 120.15 41.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.418 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.692 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -148.96 156.72 42.69 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.322 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.501 ' HA ' ' HE2' ' A' ' 598' ' ' LYS . 51.1 m -49.34 -30.56 7.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -29.14 58.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.859 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.81 64.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.32 88.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.503 ' HB1' ' HE2' ' A' ' 599' ' ' MET . . . -58.86 -44.34 91.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.396 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.436 HG13 HD12 ' B' ' 612' ' ' LEU . 3.0 t -64.97 -38.23 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.77 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.543 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.5 OUTLIER -62.18 -39.11 91.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.378 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 613' ' ' ARG . 12.3 mt -61.51 -44.25 97.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.532 ' HA ' HD21 ' B' ' 612' ' ' LEU . 11.2 ttm180 -56.51 -43.86 80.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -45.85 92.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.626 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.504 ' HG2' HG12 ' A' ' 616' ' ' VAL . 3.7 tt0 -64.54 -39.08 93.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.012 0.434 . . . . 0.0 111.166 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' B' ' 615' ' ' GLN . 36.4 t -62.34 -50.7 78.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.172 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -59.74 -47.17 86.72 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.704 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.38 -31.46 72.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -50.92 70.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.998 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.509 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.4 OUTLIER -58.13 -43.13 87.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.34 78.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 20.2 mt -63.94 -43.68 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.593 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' C' ' 620' ' ' ARG . 4.6 mt -65.39 -43.73 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -42.15 86.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.249 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -45.02 72.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.039 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.473 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 19.3 mtt -61.02 -37.53 82.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.485 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.7 OUTLIER -65.13 -38.54 90.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.44 -45.67 82.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.073 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.6 -48.51 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.506 HE21 ' HG2' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -60.25 -44.08 95.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.5 ' HG2' HE21 ' B' ' 630' ' ' GLN . 3.9 mmtm -64.96 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -41.44 97.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.078 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.33 -43.92 93.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.055 0.455 . . . . 0.0 111.921 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.91 -41.3 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.066 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.539 ' HA ' HD11 ' C' ' 638' ' ' LEU . 4.9 mmpp? -61.72 -37.86 85.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.509 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.32 95.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.997 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.454 HD12 ' HG ' ' A' ' 638' ' ' LEU . 2.3 mt -62.4 -41.86 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.773 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' C' ' 635' ' ' LYS . 2.0 mt -59.51 -50.05 75.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.795 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.52 80.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.939 0.399 . . . . 0.0 110.811 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.468 HD21 ' HG3' ' B' ' 644' ' ' GLU . 1.1 tt -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.839 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.53 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.459 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.475 ' HA ' ' OE1' ' C' ' 643' ' ' GLU . 1.2 mm-40 -64.33 -37.19 86.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.249 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.565 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.0 OUTLIER -61.47 -40.35 94.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.894 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.503 ' O ' HD12 ' C' ' 649' ' ' LEU . 3.5 mttt -66.53 -37.54 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.712 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.418 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -62.34 -47.7 83.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.84 -39.86 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.054 0.454 . . . . 0.0 111.219 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.562 HH21 ' HG2' ' B' ' 644' ' ' GLU . 4.4 tmm_? -61.5 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . 0.503 HD12 ' O ' ' C' ' 645' ' ' LYS . 5.8 mt -56.45 -46.65 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 33.2 mtt180 -62.22 -37.45 85.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.699 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.587 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -57.5 -44.98 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.772 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -65.7 -34.43 78.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.16 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.298 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.04 -36.24 82.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.587 HG23 ' O ' ' C' ' 651' ' ' LEU . 25.1 t -66.45 -37.19 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.177 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.54 -43.32 97.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.52 -53.34 49.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.749 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.64 HG13 HD21 ' A' ' 662' ' ' LEU . 13.0 tt -66.01 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.678 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' C' ' 655' ' ' VAL . 0.4 OUTLIER -65.64 -49.65 67.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . 0.651 ' HA ' ' HZ3' ' C' ' 660' ' ' LYS . 1.0 OUTLIER -62.53 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.299 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.64 HD21 HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -62.59 -32.73 73.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.463 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m -71.64 -25.08 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.645 ' HG3' ' HZ3' ' B' ' 665' ' ' LYS . 20.7 pttt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.714 ' H3 ' ' HA ' ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.49 2.233 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.426 ' O ' ' OG1' ' B' ' 625' ' ' THR . 62.1 m170 -75.41 154.83 36.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.917 0.389 . . . . 0.0 110.665 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 4.5 mtp -136.34 147.09 47.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.582 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.716 ' HG2' ' HG2' ' B' ' 620' ' ' ARG . 0.5 OUTLIER -69.59 -31.79 70.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.694 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.82 -12.47 69.3 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.801 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.588 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER 46.96 69.73 2.5 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -85.42 -10.44 7.66 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.576 2.184 . . . . 0.0 112.996 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.404 ' HE2' ' HE ' ' B' ' 617' ' ' ARG . 11.3 pttt -130.82 51.9 2.09 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.078 0.466 . . . . 0.0 111.446 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.65 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -61.73 -35.47 78.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.56 138.58 23.82 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 610' ' ' GLU . 66.9 Cg_endo -72.71 164.38 35.74 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.465 2.11 . . . . 0.0 112.407 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -63.65 169.68 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.354 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.25 72.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.298 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.645 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 1.9 m -61.49 141.83 57.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 29.9 p -78.92 -42.05 28.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -39.14 74.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.645 ' HB3' ' HB2' ' A' ' 604' ' ' SER . . . -69.07 -34.94 75.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.05 90.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.36 -43.44 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.446 ' HA ' ' HD3' ' C' ' 601' ' ' PRO . 2.3 mt-10 -62.43 -42.5 99.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.173 0.511 . . . . 0.0 111.784 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.31 -39.63 92.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.445 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 616' ' ' VAL . 0.4 OUTLIER -62.01 -51.06 69.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.088 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.432 ' HA ' HD11 ' C' ' 612' ' ' LEU . 10.4 tpp180 -57.79 -44.63 86.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.53 -37.89 87.87 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.602 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -45.08 72.42 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.156 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 612' ' ' LEU . 62.0 t -65.26 -36.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.653 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.1 OUTLIER -64.55 -49.39 71.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.337 -179.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.525 ' HG2' ' HE3' ' C' ' 596' ' ' LYS . 0.0 OUTLIER -61.5 -41.04 96.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 622' ' ' ILE . 10.5 tp -64.81 -36.98 86.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.712 ' HG2' ' HG2' ' C' ' 594' ' ' GLU . 1.9 ttt180 -59.88 -37.82 80.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -37.98 84.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 619' ' ' LEU . 17.9 mt -67.67 -42.4 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.564 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.55 HD12 HD11 ' B' ' 623' ' ' ILE . 1.3 mp -60.04 -49.84 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.186 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.16 -32.22 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.22 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.73 ' HA ' ' H3 ' ' C' ' 591' ' ' GLY . 52.6 m -73.02 -38.69 66.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.012 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.67 -35.11 74.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -64.93 -49.59 69.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.56 -36.22 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.49 -45.04 92.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.832 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 633' ' ' GLU . 0.9 OUTLIER -66.25 -30.86 71.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 634' ' ' ILE . 8.0 mttm -67.3 -43.32 81.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.71 86.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.028 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 630' ' ' GLN . 29.2 mt-10 -57.11 -54.8 42.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.855 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.7 pp -63.34 -37.22 78.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 19.3 tptp -60.4 -46.4 90.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.426 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.88 88.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.498 HD22 HD13 ' B' ' 641' ' ' LEU . 2.1 mt -61.84 -39.61 92.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.781 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.3 -40.85 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.172 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.04 -40.67 94.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -69.33 -44.55 71.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.503 HD13 HD22 ' C' ' 637' ' ' LEU . 0.5 OUTLIER -60.83 -37.95 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.805 179.562 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.2 -45.84 79.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.479 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.33 89.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.27 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.3 -38.64 84.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.74 98.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.565 ' HZ3' ' HB2' ' A' ' 646' ' ' LYS . 0.3 OUTLIER -60.18 -52.78 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.6 tt -63.63 -39.25 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 121.068 0.461 . . . . 0.0 111.205 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 648' ' ' ARG . 0.7 OUTLIER -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.032 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -45.23 91.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.768 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.35 -38.65 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' B' ' 652' ' ' GLN . 34.0 tp -64.59 -41.45 96.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.692 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' C' ' 651' ' ' LEU . 0.5 OUTLIER -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.103 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -44.31 94.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 111.249 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.75 96.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.471 ' HA ' HD12 ' A' ' 658' ' ' ILE . 86.1 t -63.04 -40.15 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.21 -36.84 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.59 -45.38 87.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.716 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 655' ' ' VAL . 0.0 OUTLIER -66.3 -37.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.72 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 659' ' ' LYS . 1.2 mmtt -68.64 -39.8 80.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.08 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.89 -39.88 79.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.369 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.66 95.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.52 -33.35 60.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t -72.77 -35.63 67.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.617 ' OXT' ' HG3' ' A' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.076 -0.964 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.726 ' H3 ' ' HA ' ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.435 ' O ' ' OG1' ' C' ' 625' ' ' THR . 62.2 m170 -75.32 154.78 37.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.916 0.389 . . . . 0.0 110.709 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 4.5 mtp -136.33 146.99 47.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.593 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.703 ' HG2' ' HG2' ' C' ' 620' ' ' ARG . 0.5 OUTLIER -69.55 -31.8 70.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.692 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.75 -12.36 69.53 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.83 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.61 ' HA ' ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER 46.9 69.75 2.49 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 110.639 -0.134 . . . . 0.0 110.639 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.42 -10.5 7.64 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.597 2.198 . . . . 0.0 112.987 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.405 ' HE2' ' HE ' ' C' ' 617' ' ' ARG . 11.3 pttt -130.76 51.87 2.09 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.999 0.428 . . . . 0.0 111.415 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.67 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -61.7 -35.52 78.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.504 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.55 138.57 23.84 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' C' ' 610' ' ' GLU . 66.9 Cg_endo -72.65 164.41 35.68 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.492 2.128 . . . . 0.0 112.396 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -63.71 169.59 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.361 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.25 -50.28 72.37 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.385 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.625 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 1.9 m -61.44 141.83 57.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 29.7 p -78.93 -42.04 27.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -39.08 73.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' B' ' 604' ' ' SER . . . -69.05 -34.9 75.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.04 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.431 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.45 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.633 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.461 ' HA ' ' HD3' ' A' ' 601' ' ' PRO . 2.3 mt-10 -62.54 -42.4 99.5 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 111.821 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.35 -39.61 92.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.465 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.481 ' O ' HG22 ' B' ' 616' ' ' VAL . 0.4 OUTLIER -61.98 -51.11 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.43 ' HA ' HD11 ' A' ' 612' ' ' LEU . 10.4 tpp180 -57.7 -44.68 86.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.079 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.45 -37.93 87.82 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.648 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -45.01 72.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.994 0.426 . . . . 0.0 111.171 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 612' ' ' LEU . 61.9 t -65.24 -36.26 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.65 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.1 OUTLIER -64.6 -49.4 71.25 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.271 -179.716 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.551 ' HG2' ' HE3' ' A' ' 596' ' ' LYS . 0.0 OUTLIER -61.48 -41.08 96.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.741 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.701 ' HA ' HD12 ' B' ' 622' ' ' ILE . 10.5 tp -64.78 -36.97 86.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.716 ' HG2' ' HG2' ' A' ' 594' ' ' GLU . 1.9 ttt180 -59.86 -37.87 80.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -38.02 84.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 619' ' ' LEU . 17.9 mt -67.66 -42.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 111.636 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.556 HD12 HD11 ' C' ' 623' ' ' ILE . 1.3 mp -60.08 -49.76 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.235 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.28 -32.08 72.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 625' ' ' THR . . . . . 0.714 ' HA ' ' H3 ' ' A' ' 591' ' ' GLY . 51.4 m -73.11 -38.76 66.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.63 -35.12 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.95 -49.57 69.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.53 -36.16 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.58 -45.09 91.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' B' ' 633' ' ' GLU . 0.9 OUTLIER -66.2 -30.87 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.504 ' O ' HG13 ' B' ' 634' ' ' ILE . 8.1 mttm -67.21 -43.4 82.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -43.73 86.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.017 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' B' ' 630' ' ' GLN . 29.2 mt-10 -57.11 -54.78 42.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.089 0.471 . . . . 0.0 111.886 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.7 pp -63.28 -37.21 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.062 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 19.4 tptp -60.44 -46.41 90.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.477 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -39.9 88.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.964 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.488 HD22 HD13 ' C' ' 641' ' ' LEU . 2.1 mt -61.9 -39.62 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.753 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.19 -40.97 86.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.44 -44.37 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.02 0.438 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.498 HD13 HD22 ' A' ' 637' ' ' LEU . 0.5 OUTLIER -60.92 -37.97 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.742 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 -45.78 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.28 89.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.219 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.47 -42.72 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.565 ' HB2' ' HZ3' ' B' ' 646' ' ' LYS . 0.3 OUTLIER -60.24 -52.66 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.276 -179.653 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.69 -39.23 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 111.226 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -40.92 96.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.018 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.773 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.39 -38.51 84.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' C' ' 652' ' ' GLN . 34.1 tp -64.65 -41.38 96.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.771 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 651' ' ' LEU . 0.5 OUTLIER -57.57 -48.52 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.21 95.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.31 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.42 ' O ' HG13 ' B' ' 658' ' ' ILE . 2.3 tt0 -61.88 -40.68 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.547 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' B' ' 658' ' ' ILE . 86.0 t -63.04 -40.06 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.44 -36.73 83.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.48 -45.39 87.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' B' ' 655' ' ' VAL . 0.0 OUTLIER -66.37 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.668 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' B' ' 659' ' ' LYS . 1.2 mmtt -68.7 -39.76 80.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.784 0.326 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -44.02 69.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.92 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.279 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.57 -33.36 60.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.6 t -72.75 -35.62 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.625 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.088 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.73 ' H3 ' ' HA ' ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.437 ' O ' ' OG1' ' A' ' 625' ' ' THR . 62.1 m170 -75.36 154.79 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.659 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 4.5 mtp -136.4 147.06 47.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.55 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.712 ' HG2' ' HG2' ' A' ' 620' ' ' ARG . 0.5 OUTLIER -69.52 -31.83 70.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.696 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.79 -12.46 69.34 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.8 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.606 ' HA ' ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER 46.98 69.72 2.52 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 110.615 -0.142 . . . . 0.0 110.615 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.38 -10.43 7.71 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.588 2.192 . . . . 0.0 113.045 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.428 ' HE2' ' HE ' ' A' ' 617' ' ' ARG . 11.3 pttt -130.8 51.9 2.09 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.053 0.454 . . . . 0.0 111.4 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.653 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -61.75 -35.45 78.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.526 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.58 138.6 23.79 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 610' ' ' GLU . 67.0 Cg_endo -72.7 164.38 35.75 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.504 2.136 . . . . 0.0 112.41 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -63.71 169.74 3.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.352 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.4 -50.23 72.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.314 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.637 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 1.9 m -61.46 141.77 57.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 29.4 p -78.9 -42.06 28.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -39.17 74.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.637 ' HB3' ' HB2' ' C' ' 604' ' ' SER . . . -69.04 -34.93 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.99 90.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.451 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.49 -43.4 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.65 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' B' ' 601' ' ' PRO . 2.3 mt-10 -62.46 -42.48 99.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.19 0.519 . . . . 0.0 111.834 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.22 -39.71 93.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.478 ' O ' HG22 ' C' ' 616' ' ' VAL . 0.4 OUTLIER -61.96 -51.05 69.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.431 ' HA ' HD11 ' B' ' 612' ' ' LEU . 10.5 tpp180 -57.8 -44.7 86.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 17.9 p -62.44 -37.88 87.57 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.703 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -45.0 72.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.206 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.478 HG22 ' O ' ' C' ' 612' ' ' LEU . 62.0 t -65.32 -36.27 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.67 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.1 OUTLIER -64.54 -49.4 71.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.541 ' HG2' ' HE3' ' B' ' 596' ' ' LYS . 0.0 OUTLIER -61.49 -41.11 96.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.713 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.5 tp -64.7 -37.03 86.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.703 ' HG2' ' HG2' ' B' ' 594' ' ' GLU . 1.9 ttt180 -59.86 -37.84 80.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -37.95 84.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.611 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' C' ' 619' ' ' LEU . 17.9 mt -67.62 -42.39 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 111.625 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.556 HD11 HD12 ' B' ' 623' ' ' ILE . 1.3 mp -60.08 -49.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.2 -32.2 72.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.215 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 625' ' ' THR . . . . . 0.726 ' HA ' ' H3 ' ' B' ' 591' ' ' GLY . 52.3 m -73.12 -38.58 66.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.969 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.73 -35.15 74.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.94 -49.52 70.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.059 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.53 -45.09 92.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' C' ' 633' ' ' GLU . 0.9 OUTLIER -66.22 -30.94 71.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.76 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.508 ' O ' HG13 ' C' ' 634' ' ' ILE . 8.0 mttm -67.21 -43.3 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -43.73 86.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.992 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' C' ' 630' ' ' GLN . 29.1 mt-10 -57.08 -54.85 42.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.864 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.508 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.7 pp -63.28 -37.22 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.084 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 19.4 tptp -60.34 -46.46 89.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.452 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.87 88.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 641' ' ' LEU . 2.1 mt -61.83 -39.59 92.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.31 -40.9 86.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 8.7 m -61.05 -40.61 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.51 -44.44 71.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.488 HD13 HD22 ' B' ' 637' ' ' LEU . 0.5 OUTLIER -60.9 -37.98 84.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.76 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.1 -45.88 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.36 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.234 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.69 98.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.78 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.56 ' HZ3' ' HB2' ' C' ' 646' ' ' LYS . 0.3 OUTLIER -60.24 -52.7 64.16 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.21 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.74 -39.16 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.206 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -40.86 96.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.099 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -45.3 90.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.34 -38.55 84.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 652' ' ' GLN . 34.1 tp -64.65 -41.34 96.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.738 ' HA ' HD12 ' B' ' 651' ' ' LEU . 0.5 OUTLIER -57.6 -48.48 79.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.115 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -44.26 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.296 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.435 ' O ' HG13 ' C' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.71 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.555 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.45 ' HA ' HD12 ' C' ' 658' ' ' ILE . 85.6 t -63.05 -40.11 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.191 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.37 -36.69 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.56 -45.39 87.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' C' ' 655' ' ' VAL . 0.0 OUTLIER -66.34 -37.88 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -68.69 -39.77 80.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -43.98 69.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.92 79.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.41 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -75.59 -33.33 60.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t -72.77 -35.62 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.63 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.521 ' HD2' ' HA ' ' B' ' 625' ' ' THR . 0.0 OUTLIER -83.37 -51.85 7.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.399 . . . . 0.0 110.654 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.489 ' SD ' ' HB3' ' B' ' 621' ' ' SER . 0.0 OUTLIER -148.31 133.13 17.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.578 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.439 ' H ' ' HG3' ' A' ' 594' ' ' GLU . 4.8 mt-10 -64.53 -45.95 84.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.686 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 64.2 37.95 95.25 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.81 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.46 120.08 18.71 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.14 66.48 5.15 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.568 2.179 . . . . 0.0 112.991 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 122.51 18.77 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.991 0.424 . . . . 0.0 111.427 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.635 ' HB2' ' HG2' ' B' ' 610' ' ' GLU . 2.3 ptp -149.47 152.69 36.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.543 ' HG3' ' HD2' ' B' ' 613' ' ' ARG . 31.7 mt-10 -117.62 88.34 29.22 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -72.05 -42.12 1.68 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.395 2.063 . . . . 0.0 112.397 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -125.53 99.07 5.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.384 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -167.22 167.45 14.19 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 66.7 m -56.5 133.67 53.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.222 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.443 ' O ' HG21 ' A' ' 609' ' ' VAL . 66.9 m -70.85 -39.9 72.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.2 -51.63 51.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.93 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.564 ' CB ' HG11 ' B' ' 609' ' ' VAL . . . -63.63 -36.18 82.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.549 HG11 ' CB ' ' C' ' 608' ' ' ALA . 2.3 t -66.2 -40.07 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.661 ' HG2' ' HB2' ' C' ' 599' ' ' MET . 1.1 tt0 -64.64 -48.7 73.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.745 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.454 ' HB3' HH21 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -59.09 -39.79 83.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.453 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' C' ' 612' ' ' LEU . 5.0 mt -63.83 -43.06 97.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.068 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.666 ' HA ' HD21 ' C' ' 612' ' ' LEU . 0.0 OUTLIER -62.38 -41.15 98.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.641 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.462 ' HB3' HG12 ' B' ' 616' ' ' VAL . 0.1 OUTLIER -67.14 -30.38 70.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 111.174 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.3 t -66.42 -47.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -62.8 -46.37 88.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 -179.755 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.718 ' O ' HG13 ' A' ' 622' ' ' ILE . 47.7 mt-10 -60.57 -35.8 76.94 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.976 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.636 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -66.62 -45.54 78.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.523 ' HD2' ' HG ' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.09 -30.76 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' SER . . . . . 0.496 ' HB3' ' SD ' ' C' ' 593' ' ' MET . 16.3 m -67.94 -39.57 83.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.718 HG13 ' O ' ' A' ' 618' ' ' GLU . 3.6 mt -67.47 -40.98 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.559 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.633 HD12 ' HB ' ' C' ' 622' ' ' ILE . 0.4 OUTLIER -60.66 -45.49 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.235 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 623' ' ' ILE . 2.5 mt-10 -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.21 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.524 ' HA ' ' HD2' ' C' ' 592' ' ' HIS . 0.2 OUTLIER -65.35 -49.8 68.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.049 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.485 ' HE1' ' O ' ' B' ' 623' ' ' ILE . 3.8 ttm -62.15 -35.08 77.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.444 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 5.0 tttp -65.0 -46.91 79.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . 0.427 ' HB2' ' CD2' ' C' ' 592' ' ' HIS . 2.0 m-20 -66.89 -42.93 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.587 ' O ' ' HB2' ' A' ' 633' ' ' GLU . 1.5 mt-30 -66.17 -33.24 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.425 HE21 ' HG2' ' A' ' 631' ' ' LYS . 1.2 tt0 -69.19 -48.84 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 6.7 mmtt -63.92 -46.65 83.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . 0.566 HH22 ' HG3' ' A' ' 629' ' ' GLN . 1.5 ttp-105 -63.77 -45.22 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.948 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.587 ' HB2' ' O ' ' A' ' 629' ' ' GLN . 4.3 mt-10 -60.9 -49.23 78.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 111.911 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.525 ' HA ' HD11 ' A' ' 637' ' ' LEU . 1.0 OUTLIER -65.96 -32.37 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.108 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -64.08 -41.78 97.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.402 -179.525 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.64 -45.72 88.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.012 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' B' ' 637' ' ' LEU . 1.8 mt -60.45 -41.26 93.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.574 ' HG ' HD23 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.95 -42.39 99.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.683 ' HG3' ' HZ3' ' B' ' 645' ' ' LYS . 1.4 tt0 -64.27 -37.75 88.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.621 HD13 HD22 ' C' ' 637' ' ' LEU . 40.9 mt -62.21 -43.79 98.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.826 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.74 -39.08 93.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.435 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.553 ' OE1' ' HA ' ' A' ' 640' ' ' GLU . 8.0 mt-10 -65.53 -41.29 93.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.242 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.72 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 11.8 mt-10 -62.71 -37.47 86.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.725 ' HE3' ' HG2' ' C' ' 644' ' ' GLU . 0.0 OUTLIER -65.28 -44.06 89.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.72 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.533 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 5.7 mmtp -62.09 -47.05 86.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.447 HG22 ' HE ' ' B' ' 648' ' ' ARG . 48.2 mt -65.49 -41.05 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.092 0.472 . . . . 0.0 111.21 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.477 HH22 ' HE3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -65.42 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.02 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -46.2 84.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.721 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.533 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.683 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' B' ' 651' ' ' LEU . 0.3 OUTLIER -64.08 -44.32 92.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.757 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.462 ' HA ' HD23 ' C' ' 651' ' ' LEU . 1.7 tt0 -66.44 -32.11 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.175 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -38.87 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.502 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 36.4 t -64.3 -41.42 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 111.148 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.11 -37.8 86.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.492 ' HA ' ' HE3' ' A' ' 660' ' ' LYS . 0.4 OUTLIER -66.91 -42.57 85.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.751 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.634 HG21 HG21 ' B' ' 658' ' ' ILE . 16.3 mt -69.23 -33.58 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.666 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.6 -43.06 85.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.754 0.311 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' A' ' 657' ' ' ASP . 45.9 mtmt -57.81 -53.63 56.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.607 ' O ' ' HG2' ' A' ' 665' ' ' LYS . . . -67.08 -37.78 84.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.336 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.31 -32.15 73.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -31.0 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -43.92 52.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.511 ' HD2' ' HA ' ' C' ' 625' ' ' THR . 0.0 OUTLIER -83.38 -51.85 7.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.39 . . . . 0.0 110.669 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.492 ' SD ' ' HB3' ' C' ' 621' ' ' SER . 0.0 OUTLIER -148.32 133.11 17.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.592 -179.518 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' B' ' 594' ' ' GLU . 4.8 mt-10 -64.5 -45.94 85.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.755 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 64.22 37.98 95.28 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.75 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.48 120.14 18.72 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.588 -0.153 . . . . 0.0 110.588 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.19 66.46 5.11 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.63 2.22 . . . . 0.0 112.926 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 122.48 18.72 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.992 0.425 . . . . 0.0 111.435 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.659 ' HB2' ' HG2' ' C' ' 610' ' ' GLU . 2.3 ptp -149.45 152.68 36.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.538 ' HG3' ' HD2' ' C' ' 613' ' ' ARG . 31.8 mt-10 -117.68 88.41 29.75 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.012 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.02 -42.2 1.67 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.387 2.058 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -125.48 99.09 5.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.384 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -167.23 167.45 14.18 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.343 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 66.7 m -56.51 133.65 53.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.453 ' O ' HG21 ' B' ' 609' ' ' VAL . 66.7 m -70.8 -39.97 72.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -51.64 51.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.89 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.552 ' CB ' HG11 ' C' ' 609' ' ' VAL . . . -63.66 -36.12 82.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.468 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.564 HG11 ' CB ' ' A' ' 608' ' ' ALA . 2.3 t -66.21 -40.07 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.635 ' HG2' ' HB2' ' A' ' 599' ' ' MET . 1.1 tt0 -64.56 -48.74 73.89 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 111.767 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.444 ' HB3' HH21 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -58.97 -39.93 83.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.439 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.693 ' HB3' HD22 ' A' ' 612' ' ' LEU . 5.0 mt -63.8 -43.04 97.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 111.16 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.659 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.0 OUTLIER -62.39 -41.1 98.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.045 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.17 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.669 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.459 ' HB3' HG12 ' C' ' 616' ' ' VAL . 0.1 OUTLIER -67.08 -30.54 70.61 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.108 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 612' ' ' LEU . 42.3 t -66.38 -47.52 83.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.225 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -62.75 -46.37 88.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.35 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.712 ' O ' HG13 ' B' ' 622' ' ' ILE . 47.7 mt-10 -60.51 -35.85 76.97 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.2 OUTLIER -66.6 -45.49 79.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.528 ' HD2' ' HG ' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.14 -30.68 71.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.489 ' HB3' ' SD ' ' A' ' 593' ' ' MET . 16.3 m -67.89 -39.62 83.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.712 HG13 ' O ' ' B' ' 618' ' ' GLU . 3.6 mt -67.42 -41.02 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.582 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.642 HD12 ' HB ' ' A' ' 622' ' ' ILE . 0.5 OUTLIER -60.7 -45.45 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.215 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' B' ' 623' ' ' ILE . 2.5 mt-10 -61.46 -41.0 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.261 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 625' ' ' THR . . . . . 0.521 ' HA ' ' HD2' ' A' ' 592' ' ' HIS . 0.2 OUTLIER -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.008 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.48 ' HE1' ' O ' ' C' ' 623' ' ' ILE . 3.8 ttm -62.22 -35.01 77.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.432 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 5.0 tttp -65.06 -46.98 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . 0.432 ' HB2' ' CD2' ' A' ' 592' ' ' HIS . 2.0 m-20 -66.84 -42.9 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.596 ' O ' ' HB2' ' B' ' 633' ' ' GLU . 1.5 mt-30 -66.26 -33.19 75.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.425 HE21 ' HG2' ' B' ' 631' ' ' LYS . 1.2 tt0 -69.21 -48.8 61.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 6.7 mmtt -64.02 -46.65 83.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.583 HH22 ' HG3' ' B' ' 629' ' ' GLN . 1.5 ttp-105 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.945 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' B' ' 629' ' ' GLN . 4.3 mt-10 -60.92 -49.25 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.052 0.453 . . . . 0.0 111.871 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.505 ' HA ' HD11 ' B' ' 637' ' ' LEU . 1.0 OUTLIER -65.99 -32.33 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.077 179.261 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -64.09 -41.74 97.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.443 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.69 -45.68 88.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' C' ' 637' ' ' LEU . 1.8 mt -60.51 -41.22 93.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.58 ' HG ' HD23 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 45.2 m -62.96 -42.42 99.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.665 ' HG3' ' HZ3' ' C' ' 645' ' ' LYS . 1.4 tt0 -64.27 -37.72 88.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.606 HD13 HD22 ' A' ' 637' ' ' LEU . 41.1 mt -62.16 -43.83 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.817 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.74 -38.97 93.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.514 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.555 ' OE1' ' HA ' ' B' ' 640' ' ' GLU . 8.0 mt-10 -65.69 -41.25 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.188 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.72 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 11.8 mt-10 -62.66 -37.46 86.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.72 ' HE3' ' HG2' ' A' ' 644' ' ' GLU . 0.0 OUTLIER -65.33 -44.05 89.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.698 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.552 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 5.7 mmtp -62.14 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.439 HG22 ' HE ' ' C' ' 648' ' ' ARG . 48.1 mt -65.59 -40.94 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.104 0.478 . . . . 0.0 111.234 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.474 HH22 ' HE3' ' B' ' 645' ' ' LYS . 0.1 OUTLIER -65.52 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 -179.745 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -46.29 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.552 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -65.25 -32.35 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.716 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.62 ' HB3' HD21 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.08 -44.26 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.735 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.444 ' HA ' HD23 ' A' ' 651' ' ' LEU . 1.7 tt0 -66.49 -32.13 73.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.114 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -38.88 82.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.335 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.486 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 36.8 t -64.3 -41.47 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.99 -37.89 86.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . 0.481 ' HA ' ' HE3' ' B' ' 660' ' ' LYS . 0.4 OUTLIER -66.84 -42.62 85.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.76 179.6 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.636 HG21 HG21 ' C' ' 658' ' ' ILE . 16.2 mt -69.22 -33.58 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.702 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.57 -43.02 86.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.786 0.327 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . 0.481 ' HE3' ' HA ' ' B' ' 657' ' ' ASP . 45.9 mtmt -57.89 -53.64 55.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . 0.595 ' O ' ' HG2' ' B' ' 665' ' ' LYS . . . -67.11 -37.76 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.344 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.16 73.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -43.92 52.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.524 ' HD2' ' HA ' ' A' ' 625' ' ' THR . 0.0 OUTLIER -83.43 -51.77 7.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.879 0.371 . . . . 0.0 110.669 179.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.496 ' SD ' ' HB3' ' A' ' 621' ' ' SER . 0.0 OUTLIER -148.36 133.1 17.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.616 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' C' ' 594' ' ' GLU . 4.8 mt-10 -64.53 -45.91 85.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.695 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 64.18 38.04 95.38 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.79 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.49 120.04 18.67 Favored Pre-proline 0 CA--C 1.531 0.25 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.21 66.51 5.08 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.553 2.168 . . . . 0.0 112.993 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 122.43 18.6 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.009 0.433 . . . . 0.0 111.407 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.661 ' HB2' ' HG2' ' A' ' 610' ' ' GLU . 2.3 ptp -149.5 152.74 36.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.552 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.553 ' HG3' ' HD2' ' A' ' 613' ' ' ARG . 31.6 mt-10 -117.67 88.36 29.52 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -71.97 -42.24 1.68 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.478 2.118 . . . . 0.0 112.42 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -125.5 99.04 5.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -167.23 167.44 14.2 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.365 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 66.7 m -56.5 133.68 53.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.456 ' O ' HG21 ' C' ' 609' ' ' VAL . 67.2 m -70.89 -39.93 72.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.815 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -51.67 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.9 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.549 ' CB ' HG11 ' A' ' 609' ' ' VAL . . . -63.73 -36.07 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.428 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.552 HG11 ' CB ' ' B' ' 608' ' ' ALA . 2.3 t -66.22 -40.06 85.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.659 ' HG2' ' HB2' ' B' ' 599' ' ' MET . 1.1 tt0 -64.6 -48.68 74.0 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.207 0.527 . . . . 0.0 111.814 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.453 ' HB3' HH21 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -59.13 -39.76 83.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 179.437 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 612' ' ' LEU . 5.0 mt -63.88 -43.06 97.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.66 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -62.34 -41.17 98.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.041 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -46.27 90.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.629 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.452 ' HB3' HG12 ' A' ' 616' ' ' VAL . 0.1 OUTLIER -67.18 -30.4 70.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 -179.508 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.549 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.3 t -66.45 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -62.81 -46.35 88.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.376 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.706 ' O ' HG13 ' C' ' 622' ' ' ILE . 47.7 mt-10 -60.53 -35.88 77.05 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.661 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.2 OUTLIER -66.52 -45.55 79.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.515 ' HD2' ' HG ' ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.1 -30.77 71.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 621' ' ' SER . . . . . 0.492 ' HB3' ' SD ' ' B' ' 593' ' ' MET . 16.3 m -67.9 -39.55 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.604 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.706 HG13 ' O ' ' C' ' 618' ' ' GLU . 3.5 mt -67.52 -40.96 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.582 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.632 HD12 ' HB ' ' B' ' 622' ' ' ILE . 0.4 OUTLIER -60.7 -45.43 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.203 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' C' ' 623' ' ' ILE . 2.5 mt-10 -61.54 -40.94 96.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 625' ' ' THR . . . . . 0.511 ' HA ' ' HD2' ' B' ' 592' ' ' HIS . 0.2 OUTLIER -65.39 -49.76 68.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.037 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.478 ' HE1' ' O ' ' A' ' 623' ' ' ILE . 3.8 ttm -62.17 -35.08 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.442 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 5.0 tttp -65.05 -46.91 79.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . 0.428 ' HB2' ' CD2' ' B' ' 592' ' ' HIS . 2.0 m-20 -66.87 -42.96 84.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' C' ' 633' ' ' GLU . 1.5 mt-30 -66.17 -33.17 75.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.422 HE21 ' HG2' ' C' ' 631' ' ' LYS . 1.2 tt0 -69.27 -48.81 60.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 6.7 mmtt -63.94 -46.69 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . 0.57 HH22 ' HG3' ' C' ' 629' ' ' GLN . 1.4 ttp-105 -63.69 -45.19 91.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.035 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' C' ' 629' ' ' GLN . 4.3 mt-10 -60.93 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.836 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.517 ' HA ' HD11 ' C' ' 637' ' ' LEU . 1.0 OUTLIER -65.98 -32.32 57.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.087 179.251 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -64.14 -41.65 97.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -63.7 -45.75 88.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.013 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.71 ' HB2' HD21 ' B' ' 637' ' ' LEU . 1.8 mt -60.38 -41.24 93.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.795 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.582 ' HG ' HD23 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -62.02 -42.56 99.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.88 -42.51 99.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.671 ' HG3' ' HZ3' ' A' ' 645' ' ' LYS . 1.4 tt0 -64.25 -37.66 88.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.614 HD13 HD22 ' B' ' 637' ' ' LEU . 41.0 mt -62.22 -43.87 97.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.774 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.75 -38.95 93.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.486 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' C' ' 640' ' ' GLU . 8.0 mt-10 -65.63 -41.26 92.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.19 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.725 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 11.8 mt-10 -62.7 -37.54 86.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.72 ' HE3' ' HG2' ' B' ' 644' ' ' GLU . 0.0 OUTLIER -65.24 -44.11 89.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.668 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.54 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 5.6 mmtp -62.06 -47.07 86.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.449 HG22 ' HE ' ' A' ' 648' ' ' ARG . 48.4 mt -65.57 -40.95 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.138 0.494 . . . . 0.0 111.221 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.484 HH22 ' HE3' ' C' ' 645' ' ' LYS . 0.1 OUTLIER -65.46 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.065 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.26 -46.28 84.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.714 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.54 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -65.31 -32.31 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.688 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.06 -44.32 92.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.456 ' HA ' HD23 ' B' ' 651' ' ' LEU . 1.7 tt0 -66.45 -32.07 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.177 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -38.83 82.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.38 . . . . 0.0 111.334 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -38.59 91.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.456 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 36.8 t -64.26 -41.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.186 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.12 -37.82 86.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . 0.478 ' HA ' ' HE3' ' C' ' 660' ' ' LYS . 0.4 OUTLIER -66.86 -42.7 85.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.636 HG21 HG21 ' B' ' 658' ' ' ILE . 16.1 mt -69.14 -33.68 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.5 -43.09 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' C' ' 657' ' ' ASP . 45.9 mtmt -57.87 -53.59 56.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . 0.593 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -67.09 -37.81 84.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.04 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.791 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -43.86 52.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.647 ' H1 ' ' CB ' ' C' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.456 ' HE2' ' HG3' ' C' ' 606' ' ' GLN . 0.4 OUTLIER -127.92 72.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.948 0.404 . . . . 0.0 110.683 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.89 137.02 20.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.615 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -73.45 125.81 28.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.721 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.492 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 97.07 -2.88 61.78 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.813 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.414 ' HZ3' ' HA3' ' A' ' 591' ' ' GLY . 0.0 OUTLIER -114.79 99.86 52.53 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 110.624 -0.139 . . . . 0.0 110.624 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.609 ' HB3' HH22 ' A' ' 613' ' ' ARG . 93.2 Cg_endo -86.03 166.11 9.84 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.561 2.174 . . . . 0.0 112.968 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.664 ' HE3' ' HA ' ' C' ' 604' ' ' SER . 0.2 OUTLIER -164.38 142.39 6.91 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.035 0.445 . . . . 0.0 111.412 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.84 106.34 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.537 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.592 ' HB2' ' HD3' ' A' ' 601' ' ' PRO . 9.6 mt-10 -139.54 -60.56 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.592 ' HD3' ' HB2' ' A' ' 600' ' ' GLU . 67.4 Cg_endo -74.85 100.91 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.522 2.148 . . . . 0.0 112.381 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.67 123.87 23.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.395 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -166.47 172.28 11.01 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.634 ' HA ' ' HE3' ' B' ' 598' ' ' LYS . 3.9 m -53.98 -41.26 67.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.239 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 9.3 t -63.75 -39.53 94.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 2.8 mm-40 -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.645 ' CB ' ' H1 ' ' B' ' 591' ' ' GLY . . . -61.0 -44.55 97.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.6 82.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.479 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.522 HG12 HG23 ' C' ' 609' ' ' VAL . 0.2 OUTLIER -64.42 -34.89 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.06 -53.21 58.76 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 111.799 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.501 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 1.7 tm-20 -56.27 -40.73 74.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.397 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.06 -40.42 97.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.609 HH22 ' HB3' ' A' ' 597' ' ' PRO . 15.7 ttm-85 -59.05 -40.84 86.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -46.51 81.48 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -67.39 -33.04 74.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 111.137 -179.452 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.3 -48.89 85.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -42.75 87.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.317 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -65.4 -35.38 80.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.656 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.517 ' HA ' HD13 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -64.91 -40.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.534 ' HA ' HD12 ' A' ' 623' ' ' ILE . 17.2 ttt180 -66.48 -40.29 89.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 10.1 t -63.78 -30.54 71.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.626 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 619' ' ' LEU . 58.5 mt -67.62 -45.73 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.655 HG12 HG12 ' B' ' 623' ' ' ILE . 3.0 mt -66.19 -39.29 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.217 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.32 -47.18 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.957 0.408 . . . . 0.0 111.282 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.54 -50.58 66.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.011 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.417 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 14.3 mtt -56.86 -40.25 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.58 ' HZ3' ' HE2' ' A' ' 631' ' ' LYS . 4.4 tmtm? -62.99 -45.55 91.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -37.53 81.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.048 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.658 ' HG3' ' HZ3' ' B' ' 631' ' ' LYS . 36.9 tp60 -67.96 -50.09 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.529 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.6 OUTLIER -60.81 -36.95 80.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.634 ' HZ3' ' HG3' ' C' ' 629' ' ' GLN . 6.4 mmtt -65.85 -39.71 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -61.69 -35.44 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.95 179.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.07 -38.68 66.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.043 0.449 . . . . 0.0 111.884 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.43 HG21 HD13 ' C' ' 637' ' ' LEU . 65.6 mt -64.62 -41.99 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 631' ' ' LYS . 0.5 OUTLIER -60.33 -48.07 83.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.463 -179.56 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -40.96 95.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.601 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.7 OUTLIER -59.5 -43.5 93.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 179.627 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.604 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 5.3 mt -66.14 -41.83 89.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.147 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.405 ' HB3' HD13 ' B' ' 641' ' ' LEU . 18.7 tt0 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.074 0.464 . . . . 0.0 110.86 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.44 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.752 179.577 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.12 -39.92 91.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.487 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 647' ' ' ILE . 42.1 mm-40 -65.91 -43.62 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.267 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.7 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -68.19 -37.43 80.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.917 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.694 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.8 mttm -60.93 -42.86 98.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.691 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.537 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -63.21 -48.71 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 -179.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 643' ' ' GLU . 34.1 mt -62.07 -34.72 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 111.229 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 648' ' ' ARG . 4.2 tmm_? -66.38 -49.67 66.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.47 -46.4 80.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.3 79.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -49.72 74.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.733 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.15 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.509 ' HG3' ' HZ3' ' B' ' 659' ' ' LYS . 50.3 tt0 -61.23 -45.04 96.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.544 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 658' ' ' ILE . 53.9 t -60.9 -39.36 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.69 -36.13 79.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -50.74 38.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.7 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.517 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 4.8 tt -63.29 -40.03 87.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.686 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.502 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 13.2 tttt -65.97 -44.03 86.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -48.01 80.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.06 81.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -37.45 86.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.557 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -33.81 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 19.5 m -65.57 -44.74 85.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.433 ' OXT' ' HG3' ' A' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.645 ' H1 ' ' CB ' ' A' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.601 -0.199 . . . . 0.0 112.601 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.449 ' HE2' ' HG3' ' A' ' 606' ' ' GLN . 0.4 OUTLIER -127.89 72.77 1.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 0.0 110.667 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.94 136.94 20.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.585 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -73.38 125.83 28.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.766 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . 0.501 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 96.97 -2.69 61.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.81 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.411 ' HZ3' ' HA3' ' B' ' 591' ' ' GLY . 0.0 OUTLIER -114.88 99.77 52.54 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.6 ' HB3' HH22 ' B' ' 613' ' ' ARG . 92.7 Cg_endo -85.93 166.14 9.97 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.593 2.195 . . . . 0.0 113.01 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.634 ' HE3' ' HA ' ' A' ' 604' ' ' SER . 0.2 OUTLIER -164.41 142.37 6.85 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.967 0.413 . . . . 0.0 111.459 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.89 106.21 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.635 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.605 ' HB2' ' HD3' ' B' ' 601' ' ' PRO . 9.6 mt-10 -139.51 -60.51 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.981 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.605 ' HD3' ' HB2' ' B' ' 600' ' ' GLU . 67.7 Cg_endo -74.84 101.02 1.41 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.474 2.116 . . . . 0.0 112.39 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.71 123.86 23.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -166.4 172.4 10.99 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.656 ' HA ' ' HE3' ' C' ' 598' ' ' LYS . 3.9 m -53.96 -41.26 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.3 t -63.9 -39.44 94.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 2.8 mm-40 -67.1 -35.42 79.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.641 ' CB ' ' H1 ' ' C' ' 591' ' ' GLY . . . -61.06 -44.53 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.806 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.64 82.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.465 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.521 HG23 HG12 ' C' ' 609' ' ' VAL . 0.2 OUTLIER -64.41 -34.97 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.22 58.59 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.144 0.497 . . . . 0.0 111.745 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.502 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 1.7 tm-20 -56.2 -40.68 74.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.17 -40.33 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.6 HH22 ' HB3' ' B' ' 597' ' ' PRO . 15.6 ttm-85 -59.11 -40.78 86.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -46.47 81.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.634 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -67.42 -32.94 74.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 111.119 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.36 -48.9 85.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -42.82 87.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.444 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.3 OUTLIER -65.37 -35.39 80.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -64.82 -40.42 95.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' B' ' 623' ' ' ILE . 17.2 ttt180 -66.5 -40.25 89.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.93 -30.37 71.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' B' ' 619' ' ' LEU . 58.3 mt -67.74 -45.65 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.625 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.655 HG12 HG12 ' A' ' 623' ' ' ILE . 3.0 mt -66.2 -39.34 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.22 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.31 -47.21 87.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.238 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.52 -50.54 66.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.027 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.417 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 14.3 mtt -56.94 -40.19 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.576 ' HZ3' ' HE2' ' B' ' 631' ' ' LYS . 4.5 tmtm? -63.05 -45.51 91.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.95 -37.49 81.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.641 ' HG3' ' HZ3' ' C' ' 631' ' ' LYS . 36.9 tp60 -68.02 -50.16 57.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.526 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.6 OUTLIER -60.71 -36.96 80.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.658 ' HZ3' ' HG3' ' A' ' 629' ' ' GLN . 6.3 mmtt -65.91 -39.67 90.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -61.75 -35.35 77.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.947 179.699 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.17 -38.6 66.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 111.865 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.441 HG21 HD13 ' A' ' 637' ' ' LEU . 65.6 mt -64.67 -41.96 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.07 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.449 -179.518 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.599 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.7 OUTLIER -59.6 -43.47 93.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.601 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 5.3 mt -66.13 -41.83 89.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 111.132 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.26 -42.09 99.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.49 89.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.763 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.09 -39.9 91.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.543 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.412 ' O ' HG13 ' B' ' 647' ' ' ILE . 42.1 mm-40 -65.81 -43.7 87.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.282 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.711 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -68.25 -37.46 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.7 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.8 mttm -60.81 -42.88 98.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -63.25 -48.66 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.627 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 643' ' ' GLU . 34.2 mt -62.16 -34.67 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.093 0.473 . . . . 0.0 111.211 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.401 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 4.2 tmm_? -66.43 -49.64 66.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.47 -46.46 80.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.726 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.54 -35.34 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' C' ' 651' ' ' LEU . 0.4 OUTLIER -62.06 -49.65 75.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.714 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.69 -37.5 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.14 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -40.23 93.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.246 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.489 ' HG3' ' HZ3' ' C' ' 659' ' ' LYS . 50.1 tt0 -61.2 -45.11 95.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.509 ' HA ' HG22 ' B' ' 658' ' ' ILE . 53.9 t -60.92 -39.31 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.156 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.62 -36.23 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -50.71 38.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.519 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 4.8 tt -63.28 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 13.1 tttt -65.94 -44.06 86.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -48.01 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -37.5 87.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -33.85 49.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 19.8 m -65.56 -44.7 85.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.436 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.641 ' H1 ' ' CB ' ' B' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.448 ' HE2' ' HG3' ' B' ' 606' ' ' GLN . 0.4 OUTLIER -127.91 72.85 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.926 0.393 . . . . 0.0 110.635 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.96 136.9 20.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.652 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -73.4 125.8 28.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.714 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . 0.502 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 97.06 -2.77 61.73 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.766 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.415 ' HZ3' ' HA3' ' C' ' 591' ' ' GLY . 0.0 OUTLIER -114.83 99.77 52.47 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.605 ' HB3' HH22 ' C' ' 613' ' ' ARG . 92.8 Cg_endo -85.98 166.1 9.91 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.606 2.204 . . . . 0.0 112.98 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.656 ' HE3' ' HA ' ' B' ' 604' ' ' SER . 0.2 OUTLIER -164.35 142.39 6.95 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.049 0.452 . . . . 0.0 111.426 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.89 106.34 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.58 ' HB2' ' HD3' ' C' ' 601' ' ' PRO . 9.6 mt-10 -139.56 -60.51 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.951 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' C' ' 600' ' ' GLU . 68.3 Cg_endo -74.83 100.99 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.482 2.121 . . . . 0.0 112.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.72 123.88 23.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.357 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -166.46 172.33 10.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.376 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.664 ' HA ' ' HE3' ' A' ' 598' ' ' LYS . 3.9 m -54.01 -41.2 67.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 9.3 t -63.91 -39.43 94.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.456 ' HG3' ' HE2' ' A' ' 592' ' ' HIS . 2.8 mm-40 -67.1 -35.38 79.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.647 ' CB ' ' H1 ' ' A' ' 591' ' ' GLY . . . -61.05 -44.48 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.68 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.425 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.522 HG23 HG12 ' A' ' 609' ' ' VAL . 0.2 OUTLIER -64.52 -34.89 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 -179.425 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.24 58.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 111.768 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.492 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 1.7 tm-20 -56.17 -40.76 74.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.426 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.07 -40.44 97.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.116 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.605 HH22 ' HB3' ' C' ' 597' ' ' PRO . 15.8 ttm-85 -59.02 -40.82 86.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.066 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -46.58 80.96 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.588 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -67.24 -33.03 74.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.52 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.29 -48.87 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -42.87 87.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.338 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.444 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.3 OUTLIER -65.41 -35.28 80.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -65.01 -40.23 94.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.531 ' HA ' HD12 ' C' ' 623' ' ' ILE . 17.2 ttt180 -66.59 -40.24 88.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.88 -30.39 71.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.653 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' C' ' 619' ' ' LEU . 58.4 mt -67.69 -45.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.651 HG12 HG12 ' B' ' 623' ' ' ILE . 3.0 mt -66.21 -39.29 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.2 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.37 -47.09 87.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.243 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.63 -50.48 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.417 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 14.3 mtt -57.03 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.585 ' HZ3' ' HE2' ' C' ' 631' ' ' LYS . 4.4 tmtm? -63.03 -45.52 91.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.89 -37.6 81.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.634 ' HG3' ' HZ3' ' A' ' 631' ' ' LYS . 37.0 tp60 -67.93 -50.12 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.523 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.6 OUTLIER -60.84 -36.87 80.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.983 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.641 ' HZ3' ' HG3' ' B' ' 629' ' ' GLN . 6.4 mmtt -65.89 -39.76 90.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -61.65 -35.43 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -73.07 -38.67 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.02 0.438 . . . . 0.0 111.871 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.429 HG21 HD13 ' B' ' 637' ' ' LEU . 65.5 mt -64.63 -41.94 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.109 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' C' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.425 -179.513 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.87 95.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.604 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.7 OUTLIER -59.55 -43.47 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.599 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 5.3 mt -66.21 -41.75 89.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 12.8 p -61.86 -38.44 88.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.41 ' HB3' HD13 ' A' ' 641' ' ' LEU . 18.7 tt0 -62.28 -42.01 98.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.44 -38.44 89.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.13 -39.87 91.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.517 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.408 ' O ' HG13 ' C' ' 647' ' ' ILE . 42.0 mm-40 -65.98 -43.55 87.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.251 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.694 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -68.28 -37.5 80.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.813 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.711 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.8 mttm -60.78 -42.84 98.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.742 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -63.27 -48.69 77.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.25 -179.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.408 HG13 ' O ' ' C' ' 643' ' ' GLU . 34.3 mt -62.02 -34.79 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.052 0.453 . . . . 0.0 111.193 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' C' ' 648' ' ' ARG . 4.2 tmm_? -66.4 -49.58 66.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.064 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . 0.402 ' HG ' HH12 ' C' ' 648' ' ' ARG . 5.1 mt -56.59 -46.28 80.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.35 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -62.05 -49.64 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.79 -37.48 76.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -40.19 93.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.489 ' HG3' ' HZ3' ' A' ' 659' ' ' LYS . 50.3 tt0 -61.18 -45.15 95.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.49 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.522 ' HA ' HG22 ' C' ' 658' ' ' ILE . 53.7 t -60.84 -39.42 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -61.58 -36.19 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -50.78 38.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.736 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' C' ' 655' ' ' VAL . 4.8 tt -63.22 -40.05 87.57 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.69 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.519 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 13.2 tttt -65.94 -44.11 86.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.98 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -37.45 86.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -33.82 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 19.6 m -65.56 -44.76 85.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.444 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.709 ' H3 ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.24 61.1 1.68 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.915 0.388 . . . . 0.0 110.625 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 2.4 ttt -130.94 124.94 32.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.621 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.675 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 11.4 mm-40 -69.17 124.39 23.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.68 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.446 ' O ' ' HD3' ' A' ' 597' ' ' PRO . . . 100.56 -20.42 48.36 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.782 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.93 105.07 16.88 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.588 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 92.9 Cg_endo -84.32 154.49 12.44 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.603 2.202 . . . . 0.0 112.943 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.42 ' O ' ' HB1' ' C' ' 608' ' ' ALA . 2.8 mtpt -160.85 137.35 8.61 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.077 0.465 . . . . 0.0 111.426 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.98 108.89 8.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.595 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.631 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 8.4 mt-10 -138.87 -58.98 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.631 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 66.9 Cg_endo -73.93 103.31 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.535 2.157 . . . . 0.0 112.386 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.4 114.36 18.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.334 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.714 ' C ' ' H3 ' ' B' ' 591' ' ' GLY . . . -162.56 169.3 20.46 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.3 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.415 ' HB2' ' CD ' ' B' ' 601' ' ' PRO . 12.1 m -48.65 -36.2 15.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.453 ' O ' HG21 ' A' ' 609' ' ' VAL . 15.1 t -62.78 -52.07 64.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 2.9 mm-40 -64.2 -33.69 76.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.58 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.584 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -65.46 -39.49 92.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.367 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.603 HG23 HG12 ' B' ' 609' ' ' VAL . 4.0 t -63.2 -37.27 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.692 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 2.6 mt-10 -62.72 -41.0 98.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.175 0.512 . . . . 0.0 111.826 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.47 -38.95 93.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.425 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.545 ' O ' HG22 ' A' ' 616' ' ' VAL . 28.5 mt -64.75 -38.67 91.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 0.0 111.086 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.48 -39.15 89.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.005 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -45.99 88.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.621 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.529 ' O ' HD13 ' A' ' 619' ' ' LEU . 28.5 tt0 -71.78 -34.57 69.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.999 0.428 . . . . 0.0 111.14 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 612' ' ' LEU . 89.8 t -65.66 -48.34 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.53 HH21 HG12 ' A' ' 616' ' ' VAL . 0.1 OUTLIER -64.05 -49.38 72.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.328 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.99 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 615' ' ' GLN . 0.0 OUTLIER -57.5 -43.42 84.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.042 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 624' ' ' GLU . 0.6 OUTLIER -60.63 -35.32 75.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 9.3 t -68.12 -29.6 68.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 622' ' ' ILE . 65.2 mt -67.56 -34.78 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.623 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.557 HG21 ' SD ' ' C' ' 626' ' ' MET . 2.0 mt -68.73 -43.05 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 6.7 mm-40 -67.17 -38.22 85.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 80.3 p -67.5 -53.21 30.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.549 ' SD ' HG21 ' B' ' 623' ' ' ILE . 26.9 mtt -61.19 -38.05 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.47 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 0.7 OUTLIER -60.52 -43.45 97.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.032 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.92 -45.17 90.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.644 ' HG3' ' HZ3' ' B' ' 631' ' ' LYS . 57.9 tp60 -56.75 -40.21 75.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.809 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.56 70.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.663 ' HZ3' ' HG3' ' C' ' 629' ' ' GLN . 10.1 mmtm -67.23 -36.91 82.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -46.72 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.006 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.95 -36.9 85.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 111.918 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 40.4 mt -66.32 -43.67 91.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.065 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -43.1 95.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.431 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.5 -30.19 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.4 -45.4 72.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -63.77 -36.87 85.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.453 ' OE2' HD23 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -64.18 -39.35 93.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.088 0.47 . . . . 0.0 110.872 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.669 HD22 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.51 -41.33 84.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.782 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.17 -34.85 79.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.468 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 639' ' ' SER . 41.1 mm-40 -61.94 -50.52 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.57 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 3.1 tt0 -64.44 -33.52 76.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.558 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.1 mttm -60.95 -45.56 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -62.03 -45.78 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.48 -39.43 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 121.103 0.478 . . . . 0.0 111.153 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.493 HH21 ' HA ' ' C' ' 644' ' ' GLU . 4.4 tmm_? -64.68 -40.8 96.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.041 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -47.77 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -63.19 -35.73 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.671 HD21 HD22 ' B' ' 651' ' ' LEU . 2.7 tt -60.04 -50.95 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.441 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.1 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.141 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 54.8 mmm -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.39 -39.96 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.517 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.437 ' O ' HG22 ' A' ' 658' ' ' ILE . 5.4 t -65.11 -38.84 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.247 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.423 HD21 ' HA ' ' A' ' 656' ' ' ASN . 11.0 m120 -66.65 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.02 -51.79 59.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.601 HG13 HD11 ' B' ' 662' ' ' LEU . 2.4 tt -64.57 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.671 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.483 ' HE3' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.23 -44.76 82.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.812 0.339 . . . . 0.0 111.042 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -49.21 78.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.91 71.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.369 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.591 HD11 HG13 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -68.77 -41.81 78.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.533 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.43 60.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.59 -27.88 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.028 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.714 ' H3 ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.18 60.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 2.4 ttt -130.92 125.02 32.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.632 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.692 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 11.4 mm-40 -69.17 124.41 23.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.703 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . 0.447 ' O ' ' HD3' ' B' ' 597' ' ' PRO . . . 100.51 -20.4 48.53 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.806 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.9 105.05 16.69 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.5 Cg_endo -84.26 154.4 12.54 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.626 2.218 . . . . 0.0 112.965 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.422 ' O ' ' HB1' ' A' ' 608' ' ' ALA . 2.8 mtpt -160.78 137.37 8.7 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.061 0.458 . . . . 0.0 111.382 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.01 108.93 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.622 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 8.4 mt-10 -138.84 -59.04 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.622 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.3 Cg_endo -73.83 103.31 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.473 2.115 . . . . 0.0 112.391 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.44 114.41 18.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.355 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.712 ' C ' ' H3 ' ' C' ' 591' ' ' GLY . . . -162.62 169.18 20.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.307 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.418 ' HB2' ' CD ' ' C' ' 601' ' ' PRO . 11.9 m -48.5 -36.2 14.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.237 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.467 ' O ' HG21 ' B' ' 609' ' ' VAL . 14.9 t -62.84 -52.09 64.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 2.8 mm-40 -64.14 -33.79 76.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.55 89.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -65.46 -39.49 92.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.407 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.603 HG12 HG23 ' A' ' 609' ' ' VAL . 4.0 t -63.23 -37.19 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.671 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 2.6 mt-10 -62.88 -40.98 99.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.171 0.51 . . . . 0.0 111.754 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.33 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.476 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.544 ' O ' HG22 ' B' ' 616' ' ' VAL . 28.6 mt -64.79 -38.59 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 111.154 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 613' ' ' ARG . 13.7 ttm180 -61.6 -39.1 90.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.001 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -45.92 88.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.632 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.54 ' O ' HD13 ' B' ' 619' ' ' LEU . 28.4 tt0 -71.79 -34.57 69.52 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 612' ' ' LEU . 90.1 t -65.65 -48.4 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.523 HH21 HG12 ' B' ' 616' ' ' VAL . 0.1 OUTLIER -63.98 -49.39 72.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.367 -179.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -35.94 80.85 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.951 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.54 HD13 ' O ' ' B' ' 615' ' ' GLN . 0.0 OUTLIER -57.56 -43.42 84.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' B' ' 624' ' ' GLU . 0.6 OUTLIER -60.6 -35.39 76.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 9.2 t -68.08 -29.61 68.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.597 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.53 -34.81 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.606 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.549 HG21 ' SD ' ' A' ' 626' ' ' MET . 2.0 mt -68.67 -43.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 6.7 mm-40 -67.22 -38.24 84.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.223 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 79.6 p -67.4 -53.27 30.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.078 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.557 ' SD ' HG21 ' C' ' 623' ' ' ILE . 26.9 mtt -61.1 -38.15 85.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.48 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.7 OUTLIER -60.46 -43.44 96.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -63.82 -45.25 90.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.654 ' HG3' ' HZ3' ' C' ' 631' ' ' LYS . 57.7 tp60 -56.82 -40.17 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -37.54 70.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.973 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.644 ' HZ3' ' HG3' ' A' ' 629' ' ' GLN . 10.2 mmtm -67.11 -36.95 83.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -46.73 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.914 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.819 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 40.7 mt -66.22 -43.74 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.045 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -43.2 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.411 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.955 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -30.06 71.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.772 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.46 -45.37 72.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 639' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -63.78 -36.87 85.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 179.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.455 ' OE2' HD23 ' C' ' 641' ' ' LEU . 1.0 OUTLIER -64.19 -39.36 93.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.46 -41.4 84.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.763 179.6 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.12 -34.96 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.441 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' B' ' 639' ' ' SER . 41.1 mm-40 -61.92 -50.47 72.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.243 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.59 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 3.1 tt0 -64.55 -33.35 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.57 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.1 mttm -61.05 -45.54 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.712 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.471 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -61.99 -45.86 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.47 -39.37 85.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 111.192 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.489 HH21 ' HA ' ' A' ' 644' ' ' GLU . 4.3 tmm_? -64.69 -40.86 96.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -47.94 83.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.05 -35.81 81.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.671 HD22 HD21 ' A' ' 651' ' ' LEU . 2.7 tt -60.02 -50.97 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.738 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.428 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.6 tt0 -57.65 -37.05 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 55.1 mmm -64.91 -34.72 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 111.308 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.4 -39.98 85.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.468 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.432 ' O ' HG22 ' B' ' 658' ' ' ILE . 5.5 t -65.16 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.67 -35.2 79.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.06 -51.77 59.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.581 HG13 HD11 ' C' ' 662' ' ' LEU . 2.4 tt -64.61 -29.35 47.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.664 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.463 ' HE3' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.2 -44.79 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -49.31 78.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.87 71.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.373 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -68.8 -41.79 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -28.5 59.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.57 -27.8 68.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.028 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.712 ' H3 ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.3 61.01 1.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 110.638 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 2.5 ttt -130.9 125.03 32.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.63 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.671 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 11.4 mm-40 -69.15 124.37 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.692 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . 0.437 ' O ' ' HD3' ' C' ' 597' ' ' PRO . . . 100.54 -20.34 48.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.802 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 105.12 17.32 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.567 -0.16 . . . . 0.0 110.567 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.597 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 91.9 Cg_endo -84.23 154.43 12.6 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.65 2.233 . . . . 0.0 112.992 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.424 ' O ' ' HB1' ' B' ' 608' ' ' ALA . 2.8 mtpt -160.82 137.36 8.65 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.011 0.434 . . . . 0.0 111.469 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.98 108.93 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.628 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 8.4 mt-10 -138.9 -59.07 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.628 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.5 Cg_endo -73.88 103.37 1.64 Allowed 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.441 2.094 . . . . 0.0 112.411 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.47 114.39 18.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.709 ' C ' ' H3 ' ' A' ' 591' ' ' GLY . . . -162.62 169.08 20.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.329 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.42 ' HB2' ' CD ' ' A' ' 601' ' ' PRO . 11.7 m -48.39 -36.23 14.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.27 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.461 ' O ' HG21 ' C' ' 609' ' ' VAL . 15.0 t -62.9 -51.98 64.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 2.8 mm-40 -64.18 -33.84 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.57 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -65.55 -39.35 91.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.421 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.602 HG12 HG23 ' B' ' 609' ' ' VAL . 4.0 t -63.24 -37.28 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.675 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 2.6 mt-10 -62.76 -41.01 99.02 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.175 0.512 . . . . 0.0 111.793 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.45 -38.92 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.398 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.527 ' O ' HG22 ' C' ' 616' ' ' VAL . 28.7 mt -64.75 -38.62 91.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.198 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' C' ' 613' ' ' ARG . 13.6 ttm180 -61.51 -39.18 90.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.89 89.11 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.684 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.523 ' O ' HD13 ' C' ' 619' ' ' LEU . 28.5 tt0 -71.84 -34.49 69.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.97 0.414 . . . . 0.0 111.166 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.529 HG12 HH21 ' C' ' 617' ' ' ARG . 89.3 t -65.76 -48.29 82.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.529 HH21 HG12 ' C' ' 616' ' ' VAL . 0.1 OUTLIER -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -179.731 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -36.01 80.8 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.023 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.523 HD13 ' O ' ' C' ' 615' ' ' GLN . 0.0 OUTLIER -57.57 -43.43 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' C' ' 624' ' ' GLU . 0.6 OUTLIER -60.54 -35.35 75.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.031 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 9.3 t -68.13 -29.62 68.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.593 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.401 HD11 HG21 ' C' ' 622' ' ' ILE . 65.2 mt -67.51 -34.77 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.696 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.557 HG21 ' SD ' ' B' ' 626' ' ' MET . 2.1 mt -68.73 -43.04 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 6.7 mm-40 -67.19 -38.14 84.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 80.4 p -67.53 -53.33 29.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.557 ' SD ' HG21 ' A' ' 623' ' ' ILE . 26.9 mtt -61.09 -38.07 84.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.473 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 0.8 OUTLIER -60.52 -43.48 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -63.83 -45.25 90.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.663 ' HG3' ' HZ3' ' A' ' 631' ' ' LYS . 57.8 tp60 -56.78 -40.19 75.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -37.58 71.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.654 ' HZ3' ' HG3' ' B' ' 629' ' ' GLN . 10.1 mmtm -67.16 -36.93 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -46.74 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.051 0.453 . . . . 0.0 111.864 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.25 -43.76 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.055 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -43.28 95.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.417 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -42.74 99.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -30.16 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.714 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.44 -45.4 72.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.109 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 639' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -63.73 -36.85 85.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.75 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.467 ' OE2' HD23 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -64.16 -39.42 93.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -67.4 -41.36 85.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.829 179.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.2 -34.88 79.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.453 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' C' ' 639' ' ' SER . 41.0 mm-40 -61.91 -50.55 71.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.206 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.558 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 3.1 tt0 -64.5 -33.43 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.59 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.1 mttm -60.98 -45.52 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -62.0 -45.84 91.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.46 -39.36 85.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 111.216 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.498 HH21 ' HA ' ' B' ' 644' ' ' GLU . 4.3 tmm_? -64.67 -40.78 96.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -47.88 84.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -63.17 -35.79 81.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.67 HD22 HD21 ' B' ' 651' ' ' LEU . 2.7 tt -59.99 -50.97 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.423 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.04 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.174 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 54.6 mmm -64.99 -34.7 79.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.47 -39.83 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.423 ' O ' HG22 ' C' ' 658' ' ' ILE . 5.5 t -65.25 -38.82 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.65 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.97 -51.92 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.591 HG13 HD11 ' A' ' 662' ' ' LEU . 2.4 tt -64.53 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.681 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.479 ' HE3' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.15 -44.75 83.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.057 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -49.21 78.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.88 71.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.581 HD11 HG13 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -68.84 -41.75 78.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.48 60.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.56 -27.89 68.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.075 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.705 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.418 ' HE2' ' HG3' ' C' ' 606' ' ' GLN . 0.0 OUTLIER -141.68 53.48 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.647 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.485 ' HB3' ' HE3' ' A' ' 596' ' ' LYS . 6.2 ttt -118.48 126.36 51.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.571 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.418 ' HB3' HG21 ' C' ' 614' ' ' THR . 16.5 mm-40 -71.65 130.58 41.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.713 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.66 -14.22 65.5 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.781 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.485 ' HE3' ' HB3' ' A' ' 593' ' ' MET . 0.9 OUTLIER -109.65 105.36 57.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.571 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.5 Cg_endo -84.89 159.01 11.82 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.587 2.191 . . . . 0.0 113.021 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.725 ' HB2' ' HB1' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -152.71 134.02 14.33 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.052 0.453 . . . . 0.0 111.439 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.427 ' HE3' ' NE ' ' A' ' 613' ' ' ARG . 0.7 OUTLIER -130.13 102.22 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.584 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.58 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.9 OUTLIER -130.95 -60.71 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.992 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.58 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.2 Cg_endo -73.69 119.09 5.73 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.447 2.098 . . . . 0.0 112.417 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.01 72.38 5.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.336 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.71 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -118.11 171.06 8.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.328 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -33.67 55.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.518 ' O ' HG21 ' A' ' 609' ' ' VAL . 2.0 t -65.58 -43.57 89.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.912 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.736 ' HA ' ' OE1' ' A' ' 606' ' ' GLN . 0.0 OUTLIER -69.93 -32.39 70.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.717 ' HB1' ' HB2' ' B' ' 598' ' ' LYS . . . -58.88 -45.37 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.598 ' HB3' HG12 ' B' ' 609' ' ' VAL . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.463 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' C' ' 608' ' ' ALA . 34.6 t -63.36 -41.2 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.56 -43.18 99.45 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.145 0.498 . . . . 0.0 111.811 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.596 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 1.0 OUTLIER -58.97 -44.06 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.408 179.403 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' B' ' 613' ' ' ARG . 34.5 mt -63.84 -34.94 79.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.497 ' HG3' HD23 ' C' ' 612' ' ' LEU . 16.2 ttm-85 -62.45 -44.01 97.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.408 HG21 ' HB3' ' B' ' 594' ' ' GLU . 0.2 OUTLIER -61.0 -48.15 83.16 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.567 179.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.58 -38.14 83.63 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.977 0.417 . . . . 0.0 111.15 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 612' ' ' LEU . 11.0 t -61.48 -49.66 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -46.36 84.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.362 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -30.49 71.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.994 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.526 ' HG ' ' HG3' ' B' ' 620' ' ' ARG . 0.0 OUTLIER -62.14 -48.75 78.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.037 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.728 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -63.41 -44.74 93.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -37.17 70.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.667 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.509 HG22 ' SD ' ' A' ' 626' ' ' MET . 56.3 mt -68.46 -40.88 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.554 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 620' ' ' ARG . 7.8 mt -61.67 -41.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.216 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 9.4 mm-40 -61.72 -42.51 99.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -44.42 96.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.976 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.509 ' SD ' HG22 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.45 -45.87 82.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.79 -27.1 60.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.7 65.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.44 ' HG3' ' HZ2' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -68.66 -36.06 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.458 ' HZ2' ' HG3' ' C' ' 630' ' ' GLN . 8.4 mmtt -62.93 -48.33 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -62.63 -37.05 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.025 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.54 -43.13 85.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.061 0.458 . . . . 0.0 111.89 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.457 ' O ' HD11 ' A' ' 638' ' ' LEU . 55.4 mt -66.45 -32.93 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.078 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.801 ' HA ' HD11 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.1 -44.39 88.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.492 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -38.01 86.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' C' ' 637' ' ' LEU . 0.4 OUTLIER -63.98 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.801 HD11 ' HA ' ' A' ' 635' ' ' LYS . 2.2 mt -62.88 -48.73 77.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.6 -32.05 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.525 ' HB3' HD13 ' B' ' 641' ' ' LEU . 11.6 tt0 -68.27 -41.48 80.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 110.937 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.3 OUTLIER -66.34 -39.25 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.756 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.34 -46.67 89.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.509 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.26 -44.28 88.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.25 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.594 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 2.3 tt0 -70.33 -33.0 70.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.594 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 2.7 mttt -64.6 -46.91 80.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -45.04 95.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.44 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 121.079 0.466 . . . . 0.0 111.227 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 0.9 OUTLIER -68.1 -38.38 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.043 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.94 -44.34 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.34 -28.74 68.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -63.7 -50.09 70.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.591 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.5 tt0 -60.83 -40.66 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.203 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 32.5 mmm -61.72 -39.04 90.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.331 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 658' ' ' ILE . 48.0 tt0 -66.11 -37.4 85.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.522 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.7 t -70.05 -38.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.162 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . 0.459 HD21 ' HA ' ' A' ' 656' ' ' ASN . 1.7 m120 -64.65 -42.34 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.06 -51.47 67.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.817 HG13 HD21 ' B' ' 662' ' ' LEU . 13.6 tt -65.8 -30.88 51.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.718 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.62 ' HE3' ' HB ' ' C' ' 658' ' ' ILE . 3.6 tttt -67.95 -40.31 83.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -37.73 88.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.82 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.362 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.802 HD21 HG13 ' C' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -26.58 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -46.2 65.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.71 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.41 ' HE2' ' HG3' ' A' ' 606' ' ' GLN . 0.0 OUTLIER -141.66 53.4 1.51 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.924 0.392 . . . . 0.0 110.684 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.489 ' HB3' ' HE3' ' B' ' 596' ' ' LYS . 6.2 ttt -118.42 126.36 51.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.673 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.408 ' HB3' HG21 ' A' ' 614' ' ' THR . 16.5 mm-40 -71.71 130.62 41.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 110.678 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.65 -14.22 65.49 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.786 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.489 ' HE3' ' HB3' ' B' ' 593' ' ' MET . 0.9 OUTLIER -109.61 105.4 57.15 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.596 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 93.1 Cg_endo -84.95 158.95 11.72 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.559 2.173 . . . . 0.0 113.015 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.717 ' HB2' ' HB1' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -152.66 134.0 14.36 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.096 0.474 . . . . 0.0 111.442 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.429 ' HE3' ' NE ' ' B' ' 613' ' ' ARG . 0.7 OUTLIER -130.13 102.28 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.565 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.607 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.9 OUTLIER -130.98 -60.77 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.983 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.607 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 68.4 Cg_endo -73.62 119.04 5.72 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.42 2.08 . . . . 0.0 112.43 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -91.99 72.42 5.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.401 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.706 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -118.12 171.07 8.35 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.338 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.47 -33.66 55.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.516 ' O ' HG21 ' B' ' 609' ' ' VAL . 2.0 t -65.57 -43.54 89.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.968 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.724 ' HA ' ' OE1' ' B' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' C' ' 598' ' ' LYS . . . -58.87 -45.35 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.807 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.598 ' HB3' HG12 ' C' ' 609' ' ' VAL . . . -64.62 -34.78 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.477 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.598 HG12 ' HB3' ' A' ' 608' ' ' ALA . 34.4 t -63.37 -41.15 91.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.58 -43.18 99.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.102 0.477 . . . . 0.0 111.793 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.574 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 1.0 OUTLIER -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.519 179.385 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.497 HD23 ' HG3' ' C' ' 613' ' ' ARG . 34.5 mt -63.86 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.127 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.491 ' HG3' HD23 ' A' ' 612' ' ' LEU . 16.2 ttm-85 -62.44 -44.03 97.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.42 HG21 ' HB3' ' C' ' 594' ' ' GLU . 0.2 OUTLIER -61.04 -48.08 83.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.65 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.59 -38.1 83.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 612' ' ' LEU . 11.0 t -61.53 -49.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -46.34 84.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.308 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -30.58 71.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.531 ' HG ' ' HG3' ' C' ' 620' ' ' ARG . 0.0 OUTLIER -62.13 -48.74 78.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -63.43 -44.75 93.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -37.28 70.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.639 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.524 HG22 ' SD ' ' B' ' 626' ' ' MET . 56.4 mt -68.4 -40.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.048 0.452 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' B' ' 620' ' ' ARG . 7.8 mt -61.65 -41.8 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 9.5 mm-40 -61.68 -42.48 98.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.266 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -44.34 97.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.017 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.524 ' SD ' HG22 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -69.16 -29.48 67.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.42 -45.91 82.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.77 -27.08 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.79 65.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.754 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.456 ' HG3' ' HZ2' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -68.66 -35.94 77.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.054 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.44 ' HZ2' ' HG3' ' A' ' 630' ' ' GLN . 8.4 mmtt -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -62.66 -37.04 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.007 179.714 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.402 ' OE1' HD13 ' C' ' 634' ' ' ILE . 1.1 tt0 -66.5 -43.11 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.057 0.456 . . . . 0.0 111.943 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.445 ' O ' HD11 ' B' ' 638' ' ' LEU . 55.4 mt -66.44 -32.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.804 ' HA ' HD11 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.05 -44.48 88.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.461 -179.561 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -37.97 85.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.406 HD12 ' HB3' ' C' ' 637' ' ' LEU . 0.4 OUTLIER -64.07 -38.71 92.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.804 HD11 ' HA ' ' B' ' 635' ' ' LYS . 2.2 mt -62.82 -48.76 77.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.54 -32.12 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.53 ' HB3' HD13 ' C' ' 641' ' ' LEU . 11.7 tt0 -68.36 -41.54 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.3 OUTLIER -66.2 -39.3 89.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.768 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.36 -46.65 89.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.499 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -44.31 88.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.269 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.621 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 2.3 tt0 -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.594 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 2.7 mttt -64.63 -46.94 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.09 95.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.42 -35.32 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 111.168 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.411 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.9 OUTLIER -68.12 -38.35 82.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.058 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.04 -44.32 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.31 -28.79 68.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.693 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -63.58 -50.16 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.6 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.5 tt0 -60.86 -40.65 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 653' ' ' MET . . . . . 0.43 ' HE3' ' HB3' ' B' ' 653' ' ' MET . 32.6 mmm -61.69 -39.08 90.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.358 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.454 ' O ' HG22 ' B' ' 658' ' ' ILE . 47.9 tt0 -66.07 -37.45 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.509 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.7 t -70.04 -38.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 111.162 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . 0.421 HD21 ' HA ' ' B' ' 656' ' ' ASN . 1.7 m120 -64.56 -42.42 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.05 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.816 HG13 HD21 ' C' ' 662' ' ' LEU . 13.6 tt -65.76 -30.95 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.66 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.612 ' HE3' ' HB ' ' A' ' 658' ' ' ILE . 3.6 tttt -67.9 -40.36 83.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.79 88.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.79 72.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.332 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.817 HD21 HG13 ' A' ' 658' ' ' ILE . 2.3 tp -66.28 -33.63 76.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.61 35.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -46.11 65.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.706 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.604 -0.199 . . . . 0.0 112.604 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.418 ' HE2' ' HG3' ' B' ' 606' ' ' GLN . 0.0 OUTLIER -141.69 53.41 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.012 0.434 . . . . 0.0 110.719 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.486 ' HB3' ' HE3' ' C' ' 596' ' ' LYS . 6.2 ttt -118.48 126.4 51.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.602 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.42 ' HB3' HG21 ' B' ' 614' ' ' THR . 16.5 mm-40 -71.63 130.62 41.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.771 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.62 -14.22 65.47 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.774 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.486 ' HE3' ' HB3' ' C' ' 593' ' ' MET . 0.9 OUTLIER -109.63 105.38 57.12 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 179.821 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.574 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 93.4 Cg_endo -84.94 159.0 11.74 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.577 2.184 . . . . 0.0 112.962 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.724 ' HB2' ' HB1' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -152.69 134.0 14.34 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.034 0.445 . . . . 0.0 111.433 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.437 ' HE3' ' NE ' ' C' ' 613' ' ' ARG . 0.7 OUTLIER -130.14 102.2 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.622 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.59 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.9 OUTLIER -130.98 -60.65 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.959 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.59 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 68.3 Cg_endo -73.69 119.06 5.72 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.501 2.134 . . . . 0.0 112.408 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -91.99 72.44 5.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.369 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.705 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -118.15 171.01 8.4 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.335 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -33.56 54.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.509 ' O ' HG21 ' C' ' 609' ' ' VAL . 2.0 t -65.66 -43.57 88.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.725 ' HA ' ' OE1' ' C' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 598' ' ' LYS . . . -58.81 -45.37 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.597 ' HB3' HG12 ' A' ' 609' ' ' VAL . . . -64.64 -34.75 79.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.598 HG12 ' HB3' ' B' ' 608' ' ' ALA . 34.5 t -63.42 -41.1 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.72 -43.04 99.82 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.147 0.499 . . . . 0.0 111.746 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.571 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 1.0 OUTLIER -59.1 -43.9 91.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.433 179.409 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.497 HD23 ' HG3' ' A' ' 613' ' ' ARG . 34.4 mt -63.9 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.107 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.497 ' HG3' HD23 ' B' ' 612' ' ' LEU . 16.2 ttm-85 -62.48 -44.04 97.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.02 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.418 HG21 ' HB3' ' A' ' 594' ' ' GLU . 0.2 OUTLIER -60.96 -48.03 83.68 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.686 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.66 -38.09 83.29 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.109 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.419 HG22 ' O ' ' C' ' 612' ' ' LEU . 10.8 t -61.59 -49.56 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -46.42 84.44 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.321 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.542 ' HG ' ' HG3' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -62.08 -48.81 78.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.728 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -63.42 -44.75 93.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.634 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.523 HG22 ' SD ' ' C' ' 626' ' ' MET . 56.0 mt -68.51 -40.83 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.61 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' C' ' 620' ' ' ARG . 7.8 mt -61.66 -41.87 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 9.6 mm-40 -61.7 -42.51 99.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.193 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -44.46 96.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.998 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.523 ' SD ' HG22 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -69.13 -29.48 67.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.5 -45.74 82.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.86 -27.09 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.016 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.75 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.773 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.458 ' HG3' ' HZ2' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -68.6 -36.05 78.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.803 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.456 ' HZ2' ' HG3' ' B' ' 630' ' ' GLN . 8.4 mmtt -62.96 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -62.58 -37.12 84.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.974 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.4 ' OE1' HD13 ' A' ' 634' ' ' ILE . 1.1 tt0 -66.55 -43.11 85.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.929 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.454 ' O ' HD11 ' C' ' 638' ' ' LEU . 55.5 mt -66.34 -32.91 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.18 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.783 ' HA ' HD11 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.17 -44.47 88.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.51 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -38.0 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 637' ' ' LEU . 0.4 OUTLIER -64.06 -38.66 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' C' ' 635' ' ' LYS . 2.2 mt -62.86 -48.78 77.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 23.4 p -60.6 -32.02 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.514 ' HB3' HD13 ' A' ' 641' ' ' LEU . 11.6 tt0 -68.33 -41.53 80.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.3 OUTLIER -66.27 -39.2 89.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.818 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.42 -46.65 89.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.496 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.23 -44.3 88.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.277 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.594 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 2.3 tt0 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.621 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 2.7 mttt -64.71 -46.9 80.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.11 95.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.256 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 18.9 mt -65.42 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.059 0.457 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -38.3 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.044 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.03 -44.37 92.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.28 -28.8 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.667 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -63.58 -50.14 70.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.767 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.597 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.6 tt0 -60.87 -40.66 93.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 653' ' ' MET . . . . . 0.443 ' HB3' ' HE3' ' C' ' 653' ' ' MET . 32.6 mmm -61.7 -38.98 89.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.45 ' O ' HG22 ' C' ' 658' ' ' ILE . 48.0 tt0 -66.19 -37.31 85.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.536 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.583 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.7 t -70.09 -38.21 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.133 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . 0.423 HD21 ' HA ' ' C' ' 656' ' ' ASN . 1.7 m120 -64.64 -42.36 95.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.1 -51.46 67.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.785 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.802 HG13 HD21 ' A' ' 662' ' ' LEU . 13.5 tt -65.8 -30.97 51.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.614 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.598 ' HE3' ' HB ' ' B' ' 658' ' ' ILE . 3.6 tttt -67.88 -40.29 83.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -37.74 88.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.8 72.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.816 HD21 HG13 ' B' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -26.57 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -46.31 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 64.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.956 0.408 . . . . 0.0 110.723 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttt -140.64 127.57 20.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.619 -179.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.525 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 46.9 mm-40 -65.83 129.66 40.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.724 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' C' ' 611' ' ' GLU . . . 85.39 5.01 85.53 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.779 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.83 98.1 36.53 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.59 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.7 Cg_endo -84.37 155.3 12.46 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.547 2.165 . . . . 0.0 112.994 -179.573 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' C' ' 604' ' ' SER . 1.4 mtpt -153.52 125.44 7.82 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.075 0.464 . . . . 0.0 111.412 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.2 107.25 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.576 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.649 ' HB3' ' HD3' ' A' ' 601' ' ' PRO . 0.0 OUTLIER -139.47 -66.06 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.925 179.9 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.649 ' HD3' ' HB3' ' A' ' 600' ' ' GLU . 67.0 Cg_endo -73.67 136.77 23.9 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.47 2.113 . . . . 0.0 112.443 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -100.72 59.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.368 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.667 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -96.12 164.2 12.79 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.321 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.533 ' HA ' ' HE2' ' B' ' 598' ' ' LYS . 0.1 OUTLIER -58.15 -37.84 75.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -179.675 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.446 ' HB2' ' HG2' ' B' ' 606' ' ' GLN . 4.7 t -63.05 -39.21 94.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.52 ' HA ' HG21 ' A' ' 609' ' ' VAL . 0.0 OUTLIER -68.47 -29.35 67.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.22 86.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -65.99 -35.27 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.447 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.611 HG23 HG12 ' B' ' 609' ' ' VAL . 0.4 OUTLIER -69.19 -35.65 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 -179.569 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.509 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 3.7 mt-10 -64.57 -42.18 95.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.218 0.532 . . . . 0.0 111.745 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.589 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 1.0 OUTLIER -61.4 -43.76 98.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.425 179.488 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' B' ' 613' ' ' ARG . 12.2 mt -63.89 -33.91 76.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 111.109 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.473 ' HG3' HD23 ' C' ' 612' ' ' LEU . 40.9 ttm-85 -60.47 -49.48 77.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -48.09 83.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.682 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.91 -45.81 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -45.05 92.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.288 -179.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -64.91 -32.12 73.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.044 179.653 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.71 -47.49 80.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.549 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -64.06 -37.76 88.61 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 618' ' ' GLU . 75.7 mt -65.69 -44.05 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.615 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.9 mt -65.78 -43.69 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.201 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.5 80.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -42.34 93.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.055 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.53 -35.45 80.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.708 ' HZ3' ' HE2' ' A' ' 631' ' ' LYS . 4.3 tmtm? -64.39 -45.86 85.84 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.21 -42.32 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.728 ' HG3' ' HZ3' ' B' ' 631' ' ' LYS . 58.9 tp60 -61.59 -38.9 89.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -41.14 65.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.732 ' HZ3' ' HG3' ' C' ' 629' ' ' GLN . 10.4 mmtt -62.27 -43.02 99.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.19 85.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.044 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.676 ' HB3' HG22 ' B' ' 634' ' ' ILE . 2.5 mt-10 -65.47 -43.67 89.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.044 0.45 . . . . 0.0 111.956 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.659 HG22 ' HB3' ' C' ' 633' ' ' GLU . 7.1 mt -70.22 -40.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -46.09 89.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.471 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -41.15 99.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.563 HD13 HG21 ' B' ' 634' ' ' ILE . 0.8 OUTLIER -57.2 -40.73 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.633 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.539 HD11 HG23 ' A' ' 634' ' ' ILE . 1.4 mt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.33 -40.86 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.454 ' HG2' HD23 ' B' ' 641' ' ' LEU . 71.0 tt0 -62.68 -47.17 84.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.021 0.439 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.486 HD11 ' CG ' ' C' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.77 81.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.799 179.581 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.482 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.662 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.57 95.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.24 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.444 ' HG2' ' HE ' ' B' ' 648' ' ' ARG . 1.3 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.05 -45.87 90.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.432 ' HG3' ' HD2' ' A' ' 650' ' ' ARG . 0.1 OUTLIER -65.38 -41.12 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.105 0.479 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 648' ' ' ARG . 3.1 tmm_? -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.099 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -50.58 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.432 ' HD2' ' HG3' ' A' ' 646' ' ' LYS . 3.4 mtp180 -62.65 -31.34 72.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.663 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' B' ' 652' ' ' GLN . 0.1 OUTLIER -62.72 -48.36 79.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' C' ' 651' ' ' LEU . 5.0 tt0 -60.85 -34.41 74.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 653' ' ' MET . . . . . 0.449 ' HB3' ' HE3' ' A' ' 653' ' ' MET . 52.6 mmm -68.98 -31.61 70.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.483 ' O ' HG22 ' A' ' 658' ' ' ILE . 57.2 tt0 -70.01 -39.78 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.448 HG21 HD23 ' C' ' 651' ' ' LEU . 9.1 t -68.86 -39.11 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.75 -40.65 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.574 HG12 HD11 ' C' ' 658' ' ' ILE . 5.8 tt -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.0 OUTLIER -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.85 83.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.66 88.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.35 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.661 ' HA ' ' HD3' ' A' ' 665' ' ' LYS . 1.1 tt -70.72 -18.31 62.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.62 30.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.56 -34.81 40.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.661 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.129 -0.938 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.667 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 64.28 1.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.925 0.393 . . . . 0.0 110.631 179.906 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttt -140.71 127.62 20.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.607 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 46.9 mm-40 -65.86 129.69 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.676 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . 0.482 ' HA2' ' HG2' ' A' ' 611' ' ' GLU . . . 85.35 5.06 85.58 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.783 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.78 98.02 35.99 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.589 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 92.5 Cg_endo -84.27 155.29 12.64 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.595 2.197 . . . . 0.0 113.032 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 604' ' ' SER . 1.4 mtpt -153.5 125.43 7.83 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.04 0.448 . . . . 0.0 111.457 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.22 107.17 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.617 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.626 ' HB3' ' HD3' ' B' ' 601' ' ' PRO . 0.0 OUTLIER -139.34 -66.04 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.02 179.858 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' B' ' 600' ' ' GLU . 67.8 Cg_endo -73.66 136.78 23.94 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.468 2.112 . . . . 0.0 112.403 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -100.73 59.32 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.297 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.662 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -96.16 164.22 12.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.316 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.541 ' HA ' ' HE2' ' C' ' 598' ' ' LYS . 0.1 OUTLIER -58.15 -37.82 75.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.448 ' HB2' ' HG2' ' C' ' 606' ' ' GLN . 4.7 t -63.05 -39.22 94.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.525 ' HA ' HG21 ' B' ' 609' ' ' VAL . 0.0 OUTLIER -68.42 -29.45 68.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.32 87.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -65.86 -35.32 80.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.491 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.611 HG12 HG23 ' A' ' 609' ' ' VAL . 0.4 OUTLIER -69.23 -35.62 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 -179.525 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.518 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 3.7 mt-10 -64.64 -42.13 95.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.191 0.519 . . . . 0.0 111.811 179.6 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.575 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 1.0 OUTLIER -61.4 -43.73 98.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.401 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' C' ' 613' ' ' ARG . 12.1 mt -63.93 -33.89 76.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.085 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.481 ' HG3' HD23 ' A' ' 612' ' ' LEU . 40.9 ttm-85 -60.44 -49.53 77.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -48.1 83.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.692 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -41.85 93.62 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.92 -45.84 91.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.57 -44.93 92.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.392 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -65.02 -32.06 73.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.74 -47.45 81.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.8 OUTLIER -63.98 -37.84 88.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.841 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 618' ' ' GLU . 75.5 mt -65.66 -44.06 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.603 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.9 mt -65.79 -43.68 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.194 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.48 80.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.202 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.52 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.714 ' HZ3' ' HE2' ' B' ' 631' ' ' LYS . 4.4 tmtm? -64.34 -45.89 85.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.11 -42.48 93.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.078 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.725 ' HG3' ' HZ3' ' C' ' 631' ' ' LYS . 58.9 tp60 -61.5 -38.84 88.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.728 ' HZ3' ' HG3' ' A' ' 629' ' ' GLN . 10.4 mmtt -62.26 -43.0 99.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -65.72 -37.27 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.98 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' C' ' 634' ' ' ILE . 2.5 mt-10 -65.53 -43.71 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.083 0.468 . . . . 0.0 111.893 -179.006 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.676 HG22 ' HB3' ' A' ' 633' ' ' GLU . 7.1 mt -70.09 -40.39 78.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.114 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -46.09 89.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.465 -179.52 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -41.05 99.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.993 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.577 HD13 HG21 ' C' ' 634' ' ' ILE . 0.8 OUTLIER -57.31 -40.68 78.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.744 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.542 HD11 HG23 ' B' ' 634' ' ' ILE . 1.4 mt -63.11 -45.01 94.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.35 -40.82 87.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.445 ' HG2' HD23 ' C' ' 641' ' ' LEU . 71.3 tt0 -62.75 -47.06 85.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.012 0.434 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.488 ' CG ' HD11 ' C' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.75 81.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.801 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.51 98.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.5 -179.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.652 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.63 96.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.229 179.248 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.446 ' HG2' ' HE ' ' C' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.41 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.14 -45.78 90.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.754 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.429 ' HG3' ' HD2' ' B' ' 650' ' ' ARG . 0.1 OUTLIER -65.28 -41.21 94.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -179.708 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.652 HG13 ' O ' ' B' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.079 0.466 . . . . 0.0 111.158 -179.588 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.444 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 3.1 tmm_? -64.61 -39.61 94.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.731 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.429 ' HD2' ' HG3' ' B' ' 646' ' ' LYS . 3.5 mtp180 -62.69 -31.28 72.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.639 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' C' ' 652' ' ' GLN . 0.1 OUTLIER -62.7 -48.42 79.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.617 ' HB2' HD13 ' A' ' 651' ' ' LEU . 4.9 tt0 -60.67 -34.53 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.229 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 653' ' ' MET . . . . . 0.472 ' HE3' ' HB3' ' B' ' 653' ' ' MET . 52.8 mmm -69.06 -31.48 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.348 -179.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.47 ' O ' HG22 ' B' ' 658' ' ' ILE . 57.2 tt0 -70.04 -39.78 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.469 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.447 HG21 HD23 ' A' ' 651' ' ' LEU . 9.2 t -68.87 -39.11 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 111.153 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.74 -40.68 92.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -47.54 79.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.764 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.585 HD11 HG12 ' C' ' 658' ' ' ILE . 5.8 tt -66.77 -31.6 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.623 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.0 OUTLIER -64.6 -41.3 96.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.89 83.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.62 88.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.662 ' HA ' ' HD3' ' B' ' 665' ' ' LYS . 1.1 tt -70.8 -18.2 62.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.607 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -19.63 30.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.52 -34.76 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.662 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.54 64.24 1.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.913 0.387 . . . . 0.0 110.695 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttt -140.69 127.51 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.589 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.518 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 46.9 mm-40 -65.8 129.63 40.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.713 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . 0.488 ' HA2' ' HG2' ' B' ' 611' ' ' GLU . . . 85.4 4.95 85.55 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.802 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.73 98.07 35.94 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.618 -0.142 . . . . 0.0 110.618 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.575 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 93.0 Cg_endo -84.32 155.33 12.54 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.562 2.174 . . . . 0.0 112.984 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' B' ' 604' ' ' SER . 1.4 mtpt -153.52 125.4 7.8 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.039 0.447 . . . . 0.0 111.469 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.29 107.3 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.62 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.655 ' HB3' ' HD3' ' C' ' 601' ' ' PRO . 0.0 OUTLIER -139.48 -66.06 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' C' ' 600' ' ' GLU . 67.6 Cg_endo -73.66 136.75 23.91 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.461 2.107 . . . . 0.0 112.424 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -100.71 59.31 0.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.348 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.669 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -96.15 164.28 12.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.337 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.535 ' HA ' ' HE2' ' A' ' 598' ' ' LYS . 0.1 OUTLIER -58.17 -37.85 75.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.644 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.423 ' HB2' ' HG2' ' A' ' 606' ' ' GLN . 4.7 t -63.04 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.971 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.505 ' HA ' HG21 ' C' ' 609' ' ' VAL . 0.0 OUTLIER -68.51 -29.32 67.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.89 -37.21 86.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -65.95 -35.29 80.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.439 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.605 HG12 HG23 ' B' ' 609' ' ' VAL . 0.4 OUTLIER -69.23 -35.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.546 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.525 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 3.7 mt-10 -64.68 -42.1 95.59 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 111.739 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.59 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 1.0 OUTLIER -61.38 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.503 179.382 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.502 ' HA ' HD22 ' C' ' 612' ' ' LEU . 12.2 mt -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.099 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.477 ' HG3' HD23 ' B' ' 612' ' ' LEU . 40.9 ttm-85 -60.52 -49.53 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.005 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -48.11 83.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.648 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.8 93.51 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.185 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.98 -45.83 91.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.5 -45.01 92.64 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.321 -179.761 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.464 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -64.97 -32.13 73.71 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.76 -47.49 80.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.756 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.55 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -63.96 -37.75 88.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.811 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -36.91 85.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.464 HG13 ' O ' ' C' ' 618' ' ' GLU . 75.6 mt -65.72 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.9 mt -65.85 -43.63 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.19 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.42 -46.41 80.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.273 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 19.9 mtt -64.54 -35.54 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.71 ' HZ3' ' HE2' ' C' ' 631' ' ' LYS . 4.4 tmtm? -64.27 -45.88 86.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.24 -42.35 93.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.024 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.732 ' HG3' ' HZ3' ' A' ' 631' ' ' LYS . 58.8 tp60 -61.53 -38.87 88.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.677 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -41.25 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.725 ' HZ3' ' HG3' ' B' ' 629' ' ' GLN . 10.4 mmtt -62.16 -43.05 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' C' ' 632' ' ' ARG . 8.7 tpt180 -65.78 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.993 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.659 ' HB3' HG22 ' A' ' 634' ' ' ILE . 2.5 mt-10 -65.46 -43.76 89.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.892 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.685 HG22 ' HB3' ' B' ' 633' ' ' GLU . 7.1 mt -70.14 -40.33 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.128 179.249 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -46.1 89.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.456 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -41.06 99.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.957 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.57 HD13 HG21 ' A' ' 634' ' ' ILE . 0.8 OUTLIER -57.27 -40.73 78.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.541 HD11 HG23 ' C' ' 634' ' ' ILE . 1.4 mt -63.04 -45.09 93.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.28 -40.91 87.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.449 ' HG2' HD23 ' A' ' 641' ' ' LEU . 71.2 tt0 -62.66 -47.06 85.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.027 0.441 . . . . 0.0 110.96 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.488 HD11 ' CG ' ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.08 -35.72 81.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.792 179.517 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -41.56 98.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.49 -179.344 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.663 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 mm-40 -64.51 -40.6 95.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.432 ' HG2' ' HE ' ' A' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.4 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.08 -45.86 90.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.416 ' HG3' ' HD2' ' C' ' 650' ' ' ARG . 0.1 OUTLIER -65.31 -41.17 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -179.68 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.663 HG13 ' O ' ' C' ' 643' ' ' GLU . 17.7 mt -65.1 -42.06 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.988 0.423 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.446 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 3.1 tmm_? -64.55 -39.73 94.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -50.64 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.416 ' HD2' ' HG3' ' C' ' 646' ' ' LYS . 3.4 mtp180 -62.73 -31.26 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.684 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 652' ' ' GLN . 0.1 OUTLIER -62.68 -48.38 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.795 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.631 ' HB2' HD13 ' B' ' 651' ' ' LEU . 4.9 tt0 -60.87 -34.39 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 653' ' ' MET . . . . . 0.5 ' HE3' ' HB3' ' C' ' 653' ' ' MET . 52.6 mmm -69.02 -31.64 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 111.336 -179.767 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.474 ' O ' HG22 ' C' ' 658' ' ' ILE . 57.2 tt0 -69.92 -39.86 75.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.44 HG21 HD23 ' B' ' 651' ' ' LEU . 9.1 t -68.77 -39.12 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.499 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.8 -40.6 92.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 179.535 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.585 HG12 HD11 ' B' ' 658' ' ' ILE . 5.8 tt -66.69 -31.56 54.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.67 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.556 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.0 OUTLIER -64.63 -41.36 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -47.89 83.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.59 88.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.344 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.649 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.1 tt -70.76 -18.25 62.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.63 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.57 -34.78 40.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.649 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -29.73 57.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 110.693 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 14.6 mtt -144.43 136.08 25.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.627 -179.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.578 ' HB3' ' HG3' ' A' ' 597' ' ' PRO . 3.2 tt0 -79.79 -29.69 40.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.749 -179.765 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 133.06 33.37 0.37 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.794 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.511 ' N ' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER 60.48 51.36 2.66 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 179.815 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.578 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 93.8 Cg_endo -84.43 -19.04 4.59 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.526 2.151 . . . . 0.0 112.971 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.594 ' HB3' ' HB3' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -107.6 141.41 39.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.09 0.472 . . . . 0.0 111.393 -179.83 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.86 146.78 46.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.624 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.423 ' HA ' ' CZ ' ' B' ' 613' ' ' ARG . 0.6 OUTLIER -83.37 112.34 38.41 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.974 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.11 -14.92 29.03 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.462 2.108 . . . . 0.0 112.391 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . 0.55 ' CB ' ' HB3' ' A' ' 607' ' ' ALA . . . -76.43 132.99 39.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.403 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -67.91 -42.74 80.66 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.326 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.35 152.74 20.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.211 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.8 m -67.1 -37.47 83.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.914 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.4 -44.59 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.55 ' HB3' ' CB ' ' A' ' 602' ' ' ALA . . . -64.17 -43.48 94.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.98 73.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.437 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.63 -39.41 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.53 76.01 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.213 0.53 . . . . 0.0 111.81 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.454 ' HG2' ' HZ3' ' C' ' 596' ' ' LYS . 35.8 mt-10 -58.72 -39.69 81.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.417 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.584 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.89 74.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.815 0.341 . . . . 0.0 111.23 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.581 ' HB3' ' HB3' ' C' ' 598' ' ' LYS . 9.4 mmt180 -62.88 -47.14 84.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.042 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.475 ' H ' HG22 ' A' ' 614' ' ' THR . 0.0 OUTLIER -68.14 -30.07 69.11 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.635 179.892 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.19 -46.83 69.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.175 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 16.5 m -67.64 -41.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.403 HH21 ' HA ' ' C' ' 598' ' ' LYS . 9.3 tpp180 -58.31 -51.67 68.83 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 -179.739 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.15 72.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.551 ' HA ' HD11 ' A' ' 622' ' ' ILE . 8.8 mt -60.42 -38.8 85.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -64.19 -34.61 78.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -31.74 65.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.551 HD11 ' HA ' ' A' ' 619' ' ' LEU . 21.1 mt -64.24 -45.74 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.54 -179.578 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.44 -38.48 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.208 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.28 -48.23 68.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.245 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p -61.87 -42.9 99.62 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.512 ' HB3' ' HG3' ' B' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.15 77.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.734 ' HZ3' ' HB3' ' C' ' 629' ' ' GLN . 0.2 OUTLIER -70.89 -37.09 72.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.876 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.45 -35.43 80.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.728 ' HB3' ' HZ3' ' B' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.71 69.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.404 HE21 ' HG2' ' B' ' 627' ' ' LYS . 1.5 tp-100 -61.03 -46.4 90.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.08 84.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.027 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.87 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.056 0.455 . . . . 0.0 111.887 -179.081 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.543 HG22 HD13 ' C' ' 637' ' ' LEU . 52.4 mt -58.31 -46.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.072 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -43.0 76.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.446 -179.482 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.58 -39.88 92.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.56 HD13 HG22 ' B' ' 634' ' ' ILE . 0.3 OUTLIER -63.2 -34.8 78.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.5 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 0.7 OUTLIER -71.2 -31.13 67.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.763 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -44.58 96.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.705 179.608 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.72 -42.48 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 647' ' ' ILE . 85.3 mt-10 -61.18 -46.58 89.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.645 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 27.0 tt0 -66.25 -33.04 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.644 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 13.5 mmtt -64.02 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -62.93 -48.39 79.11 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -179.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 643' ' ' GLU . 2.1 mt -62.3 -38.76 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.115 0.483 . . . . 0.0 111.179 -179.595 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' C' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.35 96.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.066 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.746 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.2 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.438 ' HA ' HD12 ' A' ' 651' ' ' LEU . 12.8 tp -63.3 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.788 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.434 ' HB3' ' HE1' ' A' ' 653' ' ' MET . 0.3 OUTLIER -62.08 -44.46 96.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.17 -179.833 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 653' ' ' MET . . . . . 0.434 ' HE1' ' HB3' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -65.97 -39.29 90.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.312 -179.731 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.623 ' O ' HG13 ' A' ' 658' ' ' ILE . 6.0 tt0 -64.03 -40.43 96.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.483 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.39 -46.77 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 111.141 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -56.19 -39.77 72.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.84 98.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 654' ' ' GLU . 8.5 mt -65.78 -45.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.697 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.563 ' HB2' HD12 ' C' ' 658' ' ' ILE . 4.8 tttt -62.06 -44.55 96.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.98 -40.54 96.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.94 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.357 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.483 ' HG ' HD13 ' B' ' 662' ' ' LEU . 1.1 mt -76.71 -31.18 57.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 7.2 mm100 -86.04 -28.64 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.1 t -70.51 -49.5 47.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.002 179.96 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -29.72 57.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 110.677 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 14.7 mtt -144.5 136.13 25.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.567 -179.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.56 ' HB3' ' HG3' ' B' ' 597' ' ' PRO . 3.2 tt0 -79.77 -29.77 40.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.746 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 133.12 33.32 0.37 Allowed Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.772 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.521 ' N ' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER 60.5 51.36 2.64 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.58 -0.155 . . . . 0.0 110.58 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.56 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.5 Cg_endo -84.39 -19.07 4.62 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.544 2.162 . . . . 0.0 112.992 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.592 ' HB3' ' HB3' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -107.55 141.45 38.98 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.04 0.448 . . . . 0.0 111.418 -179.836 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.96 146.78 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.423 ' HA ' ' CZ ' ' C' ' 613' ' ' ARG . 0.6 OUTLIER -83.31 112.29 37.86 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 179.906 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.15 -14.82 28.86 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.459 2.106 . . . . 0.0 112.395 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . 0.551 ' CB ' ' HB3' ' B' ' 607' ' ' ALA . . . -76.5 132.94 39.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.387 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -67.87 -42.79 80.75 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.31 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.28 152.79 20.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 -179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.8 m -67.16 -37.48 83.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -60.44 -44.52 95.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.551 ' HB3' ' CB ' ' B' ' 602' ' ' ALA . . . -64.19 -43.47 94.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.03 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.57 -39.36 85.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.679 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.65 75.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 111.764 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.46 ' HG2' ' HZ3' ' A' ' 596' ' ' LYS . 35.8 mt-10 -58.54 -39.73 81.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.5 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.584 ' HB3' ' HG ' ' A' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.95 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.594 ' HB3' ' HB3' ' A' ' 598' ' ' LYS . 9.4 mmt180 -62.92 -47.01 85.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.047 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.496 ' H ' HG22 ' B' ' 614' ' ' THR . 0.0 OUTLIER -68.2 -30.15 69.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.545 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.14 -46.82 69.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.001 0.429 . . . . 0.0 111.188 -179.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 16.4 m -67.63 -41.31 85.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.22 -51.76 68.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.6 -31.12 72.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.568 ' HA ' HD11 ' B' ' 622' ' ' ILE . 8.8 mt -60.45 -38.74 85.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -64.26 -34.53 78.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -31.7 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' B' ' 619' ' ' LEU . 21.0 mt -64.24 -45.66 95.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.462 ' H ' HG13 ' B' ' 623' ' ' ILE . 1.5 mt -66.54 -38.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -48.24 68.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.8 -42.92 99.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.498 ' HB3' ' HG3' ' C' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.16 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.728 ' HZ3' ' HB3' ' A' ' 629' ' ' GLN . 0.2 OUTLIER -70.93 -37.11 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.46 -35.4 80.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.715 ' HB3' ' HZ3' ' C' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.74 68.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.408 HE21 ' HG2' ' C' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.47 90.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.05 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.51 90.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.94 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.8 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 111.846 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.56 HG22 HD13 ' A' ' 637' ' ' LEU . 52.5 mt -58.29 -47.04 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.128 179.246 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -43.02 76.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.428 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.91 92.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.544 HD13 HG22 ' C' ' 634' ' ' ILE . 0.3 OUTLIER -63.11 -34.88 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.612 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.495 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 0.7 OUTLIER -71.21 -31.12 67.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.712 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.15 -41.79 98.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.71 -44.59 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.784 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.71 -42.53 97.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.487 -179.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.527 ' O ' HG13 ' B' ' 647' ' ' ILE . 85.3 mt-10 -61.27 -46.48 90.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.249 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.651 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 27.0 tt0 -66.3 -32.96 74.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.922 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.645 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 13.6 mmtt -64.06 -45.12 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -63.04 -48.25 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 643' ' ' GLU . 2.1 mt -62.3 -38.79 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 111.177 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.478 HH11 ' HG3' ' A' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.34 96.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.017 -179.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.04 -39.21 93.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -41.18 91.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.652 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' B' ' 651' ' ' LEU . 12.7 tp -63.29 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.445 ' HB3' ' HE1' ' B' ' 653' ' ' MET . 0.4 OUTLIER -62.1 -44.42 96.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.145 -179.751 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 653' ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -66.05 -39.26 89.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.241 -179.653 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.624 ' O ' HG13 ' B' ' 658' ' ' ILE . 6.0 tt0 -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.33 -46.67 92.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 111.196 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -56.34 -39.84 73.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.23 -43.83 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 654' ' ' GLU . 8.6 mt -65.88 -45.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.614 -179.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.554 ' HB2' HD12 ' A' ' 658' ' ' ILE . 4.8 tttt -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.85 -40.63 97.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.77 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.377 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.488 ' HG ' HD13 ' C' ' 662' ' ' LEU . 1.1 mt -76.78 -31.11 56.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' B' ' 659' ' ' LYS . 7.2 mm100 -86.09 -28.64 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.2 t -70.51 -49.47 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.133 -0.936 . . . . 0.0 111.021 -179.98 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -29.71 57.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.898 0.38 . . . . 0.0 110.688 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 14.6 mtt -144.42 136.05 25.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.631 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.565 ' HB3' ' HG3' ' C' ' 597' ' ' PRO . 3.2 tt0 -79.77 -29.74 40.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.748 -179.77 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 133.12 33.34 0.37 Allowed Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.8 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.52 ' N ' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER 60.53 51.27 2.59 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 110.624 -0.139 . . . . 0.0 110.624 179.837 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.565 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 93.5 Cg_endo -84.36 -19.07 4.65 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.606 2.204 . . . . 0.0 113.008 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -107.52 141.37 39.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.046 0.451 . . . . 0.0 111.413 -179.833 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.91 146.81 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.595 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 0.6 OUTLIER -83.37 112.28 37.95 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.991 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -72.11 -14.93 29.01 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.465 2.11 . . . . 0.0 112.352 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . 0.539 ' CB ' ' HB3' ' C' ' 607' ' ' ALA . . . -76.4 133.03 40.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.385 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.72 80.2 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.291 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.31 152.78 20.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.249 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 5.8 m -67.04 -37.62 84.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.34 -44.56 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.539 ' HB3' ' CB ' ' C' ' 602' ' ' ALA . . . -64.15 -43.5 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.0 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.458 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.64 -39.36 85.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.636 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.33 -46.52 76.35 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.768 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.449 ' HG2' ' HZ3' ' B' ' 596' ' ' LYS . 35.8 mt-10 -58.6 -39.75 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.457 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.576 ' HG ' ' HB3' ' A' ' 612' ' ' LEU . 2.0 mm? -65.86 -32.87 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 -179.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.592 ' HB3' ' HB3' ' B' ' 598' ' ' LYS . 9.4 mmt180 -62.98 -47.07 84.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.995 -179.733 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.501 ' H ' HG22 ' C' ' 614' ' ' THR . 0.0 OUTLIER -68.14 -30.1 69.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.609 179.899 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.22 -46.82 69.52 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 111.159 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.401 ' HA ' HD13 ' C' ' 619' ' ' LEU . 16.5 m -67.69 -41.19 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.403 HH21 ' HA ' ' B' ' 598' ' ' LYS . 9.3 tpp180 -58.35 -51.62 69.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.761 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.13 72.21 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.012 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.563 ' HA ' HD11 ' C' ' 622' ' ' ILE . 8.8 mt -60.45 -38.73 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.996 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -64.29 -34.5 78.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -31.72 65.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' C' ' 619' ' ' LEU . 21.2 mt -64.15 -45.8 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.623 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.436 ' H ' HG13 ' C' ' 623' ' ' ILE . 1.4 mt -66.41 -38.39 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.226 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.35 -48.27 67.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.417 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.75 -42.95 99.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.51 ' HB3' ' HG3' ' A' ' 627' ' ' LYS . 17.5 mtt -65.33 -34.18 77.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.715 ' HZ3' ' HB3' ' B' ' 629' ' ' GLN . 0.2 OUTLIER -70.85 -37.09 73.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.44 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.734 ' HB3' ' HZ3' ' A' ' 627' ' ' LYS . 6.2 tp60 -69.28 -45.71 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.796 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.406 HE21 ' HG2' ' A' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.4 90.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.04 -39.16 84.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -45.52 90.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.01 179.597 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.91 -42.6 99.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 111.843 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.544 HG22 HD13 ' B' ' 637' ' ' LEU . 52.5 mt -58.27 -46.95 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.153 179.205 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -43.04 76.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.4 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.9 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.543 HD13 HG22 ' A' ' 634' ' ' ILE . 0.3 OUTLIER -63.09 -34.89 78.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.515 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 0.7 OUTLIER -71.17 -31.14 67.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.72 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.23 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.2 -41.73 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.43 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -44.68 96.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.797 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.68 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.5 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.526 ' O ' HG13 ' C' ' 647' ' ' ILE . 85.3 mt-10 -61.1 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.195 179.259 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.644 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 27.1 tt0 -66.29 -33.03 74.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.651 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 13.6 mmtt -64.01 -45.12 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -62.96 -48.43 78.9 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.526 HG13 ' O ' ' C' ' 643' ' ' GLU . 2.1 mt -62.22 -38.78 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.1 0.476 . . . . 0.0 111.212 -179.638 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.486 HH11 ' HG3' ' B' ' 644' ' ' GLU . 5.6 ttp-105 -64.24 -42.37 96.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.061 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.98 -39.33 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -41.11 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.646 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.465 ' HA ' HD12 ' C' ' 651' ' ' LEU . 12.7 tp -63.33 -33.41 75.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.448 ' HB3' ' HE1' ' C' ' 653' ' ' MET . 0.3 OUTLIER -62.03 -44.51 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.175 -179.832 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 653' ' ' MET . . . . . 0.448 ' HE1' ' HB3' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -65.96 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.306 -179.71 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.61 ' O ' HG13 ' C' ' 658' ' ' ILE . 6.0 tt0 -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.26 -46.78 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -56.23 -39.8 73.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.61 HG13 ' O ' ' C' ' 654' ' ' GLU . 8.6 mt -65.87 -45.87 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.664 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.536 ' HB2' HD12 ' B' ' 658' ' ' ILE . 4.8 tttt -62.15 -44.51 96.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -63.93 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.87 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.368 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.488 HD13 ' HG ' ' B' ' 662' ' ' LEU . 1.1 mt -76.73 -31.25 57.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.48 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' C' ' 659' ' ' LYS . 7.3 mm100 -85.96 -28.69 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t -70.39 -49.57 47.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.011 -179.987 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.786 ' H3 ' ' HA ' ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.73 158.28 18.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.404 . . . . 0.0 110.657 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 25.9 mtt -135.31 164.28 28.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.61 -179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' B' ' 620' ' ' ARG . 2.2 mp0 -77.37 -26.27 51.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.684 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.22 -18.19 52.68 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.747 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 1.0 OUTLIER 53.14 66.3 4.89 Favored Pre-proline 0 CA--C 1.531 0.24 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -86.32 -9.94 6.87 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.596 2.197 . . . . 0.0 113.025 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.63 48.55 2.14 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.056 0.455 . . . . 0.0 111.424 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.677 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -66.73 -30.88 71.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.553 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.576 ' HG3' ' HD2' ' A' ' 601' ' ' PRO . 2.6 tp10 -82.48 135.88 46.26 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.962 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.576 ' HD2' ' HG3' ' A' ' 600' ' ' GLU . 68.0 Cg_endo -72.39 166.3 30.17 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.515 2.143 . . . . 0.0 112.446 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -60.62 154.57 20.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.378 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.89 73.51 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.34 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' A' ' 607' ' ' ALA . 0.3 OUTLIER -88.56 155.91 19.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.596 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 609' ' ' VAL . 3.0 m -72.7 -46.4 53.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 1.4 tt0 -70.79 -38.15 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.477 ' HB2' ' HB3' ' A' ' 604' ' ' SER . . . -66.74 -34.53 78.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.25 -49.15 46.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.435 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 605' ' ' SER . 25.9 t -63.67 -48.17 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.612 -179.518 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 0.1 OUTLIER -53.21 -53.6 48.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 111.7 179.636 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.403 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 17.5 mt-10 -66.04 -25.89 67.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.452 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.419 HD22 ' HB2' ' B' ' 613' ' ' ARG . 0.1 OUTLIER -66.57 -50.34 63.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.767 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.406 ' HB2' HD22 ' C' ' 612' ' ' LEU . 4.5 tpp180 -65.26 -40.72 94.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.002 -179.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 32.2 p -63.56 -27.75 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.662 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.423 ' HB3' HG13 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -70.88 -51.14 28.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 -179.482 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' C' ' 615' ' ' GLN . 1.9 t -63.96 -39.43 85.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.671 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.0 OUTLIER -60.07 -44.98 94.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.254 -179.743 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.516 ' O ' HD13 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -65.76 -42.12 91.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.73 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 623' ' ' ILE . 7.5 tp -65.28 -34.7 78.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.526 ' HG2' ' HG2' ' C' ' 594' ' ' GLU . 2.2 tpt180 -60.56 -45.91 92.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 621' ' ' SER . . . . . 0.443 ' HA ' ' H ' ' C' ' 594' ' ' GLU . 4.1 m -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.566 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 619' ' ' LEU . 5.8 mt -69.04 -34.68 65.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.589 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.1 mp -61.24 -45.32 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.46 -40.36 93.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.221 -179.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.773 ' HA ' ' H3 ' ' C' ' 591' ' ' GLY . 0.0 OUTLIER -66.27 -39.07 89.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.975 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.15 -41.6 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 7.8 ttmm -64.22 -42.52 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.02 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . 0.456 ' HB2' ' H1 ' ' C' ' 591' ' ' GLY . 3.6 m-20 -74.93 -27.52 60.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 -179.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 1.9 tt0 -67.19 -47.95 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 0.1 OUTLIER -63.65 -41.23 98.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.024 -179.786 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.6 ' O ' HG13 ' A' ' 634' ' ' ILE . 18.3 mttt -59.81 -41.92 92.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -68.01 -42.88 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 93.2 mt-10 -61.54 -48.63 80.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.86 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.6 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.0 OUTLIER -65.83 -33.97 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.079 179.253 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.475 ' HA ' HD13 ' A' ' 638' ' ' LEU . 40.2 mttt -58.77 -48.8 80.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.472 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.49 91.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.985 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' C' ' 637' ' ' LEU . 6.2 mt -63.53 -45.85 88.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.485 ' HA ' HD21 ' C' ' 637' ' ' LEU . 2.6 mt -60.81 -45.81 92.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -35.77 78.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.461 ' HB3' ' HZ2' ' B' ' 645' ' ' LYS . 49.6 mt-10 -66.2 -43.52 86.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.959 0.409 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.6 OUTLIER -65.87 -36.0 82.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.819 179.582 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -44.94 83.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -39.99 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 179.231 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -65.67 -35.46 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.854 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' C' ' 640' ' ' GLU . 19.9 mttt -65.32 -36.81 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.69 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 644' ' ' GLU . 1.1 tt -58.19 -37.76 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.627 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -65.14 -43.76 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.022 -179.773 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 653' ' ' MET . 2.9 mt -58.86 -41.36 86.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.829 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -39.45 93.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.694 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.657 HD23 ' HG2' ' B' ' 652' ' ' GLN . 45.5 tp -67.09 -39.14 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.759 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.662 ' HG2' HD23 ' C' ' 651' ' ' LEU . 2.9 mm-40 -57.54 -43.48 84.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 653' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 649' ' ' LEU . 18.9 mmt -66.56 -41.21 88.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.314 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 658' ' ' ILE . 34.7 tt0 -61.34 -40.77 95.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.503 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 651' ' ' LEU . 42.9 t -65.32 -42.02 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.64 94.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.51 98.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.754 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.659 HG13 ' O ' ' A' ' 654' ' ' GLU . 10.3 mt -71.42 -35.35 56.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.643 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -50.15 68.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -69.01 -32.9 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.62 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.322 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.563 ' HA ' ' HD3' ' A' ' 665' ' ' LYS . 1.3 tt -63.62 -33.44 75.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.558 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.3 -29.18 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p -77.3 -17.7 58.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.055 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.778 ' H3 ' ' HA ' ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.63 158.14 18.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.655 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 25.9 mtt -135.23 164.34 27.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.647 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.543 ' HG2' ' HG2' ' C' ' 620' ' ' ARG . 2.2 mp0 -77.4 -26.25 51.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.689 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.12 -18.08 52.93 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.822 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.491 ' HA ' ' HD3' ' C' ' 617' ' ' ARG . 1.0 OUTLIER 53.06 66.42 4.8 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 110.579 -0.156 . . . . 0.0 110.579 179.754 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -86.31 -10.06 6.81 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.552 2.168 . . . . 0.0 112.986 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.59 48.58 2.14 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.002 0.43 . . . . 0.0 111.413 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.695 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -66.66 -30.97 71.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.529 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.581 ' HG3' ' HD2' ' B' ' 601' ' ' PRO . 2.6 tp10 -82.42 135.92 46.43 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.952 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.581 ' HD2' ' HG3' ' B' ' 600' ' ' GLU . 67.9 Cg_endo -72.42 166.29 30.23 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.469 2.113 . . . . 0.0 112.425 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -60.53 154.56 20.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.335 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.85 73.55 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.29 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.47 ' HB3' ' HB2' ' B' ' 607' ' ' ALA . 0.3 OUTLIER -88.62 155.94 19.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.403 ' O ' HG22 ' B' ' 609' ' ' VAL . 3.0 m -72.74 -46.34 53.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.866 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 1.4 tt0 -70.73 -38.25 73.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' B' ' 604' ' ' SER . . . -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.2 -49.26 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.439 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 605' ' ' SER . 25.8 t -63.59 -48.22 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 0.1 OUTLIER -53.12 -53.61 47.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.158 0.504 . . . . 0.0 111.781 179.616 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.409 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 17.5 mt-10 -66.08 -25.89 67.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.43 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' C' ' 613' ' ' ARG . 0.1 OUTLIER -66.56 -50.37 63.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.132 -179.775 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.419 ' HB2' HD22 ' A' ' 612' ' ' LEU . 4.5 tpp180 -65.31 -40.61 94.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 -179.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 32.1 p -63.61 -27.76 69.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.663 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.433 ' HB3' HG13 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -70.91 -51.11 28.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 111.098 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.423 HG13 ' HB3' ' A' ' 615' ' ' GLN . 1.9 t -63.93 -39.51 85.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.677 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -60.05 -44.97 94.32 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.327 -179.702 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.53 ' O ' HD13 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -65.72 -42.15 91.4 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.639 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.648 ' O ' HD12 ' B' ' 623' ' ' ILE . 7.5 tp -65.31 -34.66 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.01 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.541 ' HG2' ' HG2' ' A' ' 594' ' ' GLU . 2.2 tpt180 -60.58 -45.88 92.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.446 ' HA ' ' H ' ' A' ' 594' ' ' GLU . 4.1 m -60.02 -36.57 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' B' ' 619' ' ' LEU . 5.7 mt -69.04 -34.74 65.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.587 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.648 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.1 mp -61.24 -45.31 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . 0.403 ' HB2' ' OE1' ' A' ' 594' ' ' GLU . 7.9 tt0 -65.48 -40.28 92.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.222 -179.339 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 625' ' ' THR . . . . . 0.786 ' HA ' ' H3 ' ' A' ' 591' ' ' GLY . 0.0 OUTLIER -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.013 179.782 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 7.4 ttm -68.25 -41.6 80.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 7.8 ttmm -64.18 -42.51 96.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . 0.458 ' HB2' ' H1 ' ' A' ' 591' ' ' GLY . 3.7 m-20 -74.85 -27.59 60.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.041 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 1.9 tt0 -67.17 -48.01 69.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 0.1 OUTLIER -63.58 -41.25 98.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.752 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.597 ' O ' HG13 ' B' ' 634' ' ' ILE . 18.3 mttt -59.85 -41.93 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -67.96 -43.01 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.956 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 93.2 mt-10 -61.45 -48.66 80.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 111.872 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.597 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.0 OUTLIER -65.79 -33.94 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' B' ' 638' ' ' LEU . 39.9 mttt -58.95 -48.74 80.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.449 -179.491 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -38.62 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 637' ' ' LEU . 6.2 mt -63.52 -45.86 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 179.676 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.477 ' HA ' HD21 ' A' ' 637' ' ' LEU . 2.6 mt -60.84 -45.82 92.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.454 ' HB3' ' HZ2' ' C' ' 645' ' ' LYS . 49.3 mt-10 -66.17 -43.52 86.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.839 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.79 -36.11 82.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.791 179.563 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -45.01 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.529 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -40.04 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.227 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.481 ' O ' HG23 ' B' ' 647' ' ' ILE . 0.2 OUTLIER -65.49 -35.63 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.896 179.856 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.461 ' HZ2' ' HB3' ' A' ' 640' ' ' GLU . 19.9 mttt -65.26 -36.8 85.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.727 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -55.72 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 -179.619 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.481 HG23 ' O ' ' B' ' 644' ' ' GLU . 1.1 tt -58.24 -37.68 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.197 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.611 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -65.13 -43.77 90.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.055 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . 0.522 ' O ' ' HG2' ' B' ' 653' ' ' MET . 2.9 mt -58.89 -41.27 86.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.4 93.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.651 HD23 ' HG2' ' C' ' 652' ' ' GLN . 45.5 tp -67.05 -39.2 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.657 ' HG2' HD23 ' A' ' 651' ' ' LEU . 2.9 mm-40 -57.51 -43.46 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 653' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' B' ' 649' ' ' LEU . 18.9 mmt -66.6 -41.2 88.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.323 -179.716 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.66 ' O ' HG13 ' B' ' 658' ' ' ILE . 34.7 tt0 -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.536 179.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 651' ' ' LEU . 43.0 t -65.35 -42.0 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.69 94.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.824 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -42.46 98.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 654' ' ' GLU . 10.3 mt -71.37 -35.39 57.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.623 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -50.17 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.02 -32.85 72.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.966 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.59 81.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.317 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.564 ' HA ' ' HD3' ' B' ' 665' ' ' LYS . 1.3 tt -63.69 -33.36 75.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.41 -29.07 34.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.1 p -77.42 -17.7 57.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.773 ' H3 ' ' HA ' ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.581 -0.207 . . . . 0.0 112.581 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -87.67 158.16 18.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.706 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 25.9 mtt -135.23 164.33 27.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.623 -179.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.526 ' HG2' ' HG2' ' A' ' 620' ' ' ARG . 2.2 mp0 -77.4 -26.26 51.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.703 -179.801 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.18 -18.12 52.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.802 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.491 ' HA ' ' HD3' ' A' ' 617' ' ' ARG . 1.0 OUTLIER 53.1 66.26 4.95 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 110.676 -0.12 . . . . 0.0 110.676 179.856 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -86.22 -10.1 6.9 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.654 2.236 . . . . 0.0 113.001 -179.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.61 48.62 2.13 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.054 0.454 . . . . 0.0 111.416 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.671 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -66.7 -30.93 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.52 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.567 ' HG3' ' HD2' ' C' ' 601' ' ' PRO . 2.6 tp10 -82.52 135.98 46.03 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.567 ' HD2' ' HG3' ' C' ' 600' ' ' GLU . 67.7 Cg_endo -72.45 166.26 30.33 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.456 2.104 . . . . 0.0 112.396 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -60.47 154.58 20.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.376 -179.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.88 73.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.358 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' C' ' 607' ' ' ALA . 0.3 OUTLIER -88.53 155.92 19.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.652 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 3.0 m -72.77 -46.37 53.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 1.4 tt0 -70.67 -38.32 73.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' C' ' 604' ' ' SER . . . -66.64 -34.56 78.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.15 46.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.489 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.63 -48.23 87.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 0.1 OUTLIER -53.1 -53.61 47.88 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 111.803 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.408 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 17.4 mt-10 -66.12 -25.88 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.388 179.441 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 613' ' ' ARG . 0.1 OUTLIER -66.53 -50.45 63.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 -179.817 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.41 ' HB2' HD22 ' B' ' 612' ' ' LEU . 4.4 tpp180 -65.25 -40.62 94.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.056 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 32.0 p -63.67 -27.67 69.38 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.664 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.424 ' HB3' HG13 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -70.95 -51.12 27.7 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 111.166 -179.523 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' B' ' 615' ' ' GLN . 1.9 t -63.92 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.695 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -60.03 -45.0 94.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.327 -179.729 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.517 ' O ' HD13 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -65.71 -42.19 91.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 179.668 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.654 ' O ' HD12 ' C' ' 623' ' ' ILE . 7.4 tp -65.34 -34.6 78.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.543 ' HG2' ' HG2' ' B' ' 594' ' ' GLU . 2.2 tpt180 -60.59 -45.92 92.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 621' ' ' SER . . . . . 0.425 ' HA ' ' H ' ' B' ' 594' ' ' GLU . 4.1 m -60.01 -36.61 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.531 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' C' ' 619' ' ' LEU . 5.7 mt -69.03 -34.69 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.63 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.654 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.1 mp -61.18 -45.29 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.282 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . 0.4 ' HB2' ' OE1' ' B' ' 594' ' ' GLU . 7.9 tt0 -65.49 -40.32 92.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -179.388 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 625' ' ' THR . . . . . 0.778 ' HA ' ' H3 ' ' B' ' 591' ' ' GLY . 0.0 OUTLIER -66.29 -39.06 89.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.034 179.814 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.23 -41.51 81.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.983 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 7.9 ttmm -64.33 -42.49 96.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . 0.461 ' HB2' ' H1 ' ' B' ' 591' ' ' GLY . 3.7 m-20 -74.83 -27.57 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 1.9 tt0 -67.28 -47.92 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 0.1 OUTLIER -63.67 -41.18 98.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.002 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.605 ' O ' HG13 ' C' ' 634' ' ' ILE . 18.3 mttt -59.83 -41.93 92.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -68.02 -42.93 79.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.945 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 93.2 mt-10 -61.46 -48.68 80.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.605 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.0 OUTLIER -65.81 -33.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.055 179.28 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' C' ' 638' ' ' LEU . 40.1 mttt -58.83 -48.8 80.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.448 -179.514 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -38.64 91.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 637' ' ' LEU . 6.2 mt -63.56 -45.85 88.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.699 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.475 ' HA ' HD21 ' B' ' 637' ' ' LEU . 2.6 mt -60.79 -45.79 93.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -35.75 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.76 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.458 ' HB3' ' HZ2' ' A' ' 645' ' ' LYS . 49.2 mt-10 -66.29 -43.42 86.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.565 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.758 179.571 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -45.04 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -40.01 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.232 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.479 ' O ' HG23 ' C' ' 647' ' ' ILE . 0.2 OUTLIER -65.56 -35.57 81.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.894 179.853 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.454 ' HZ2' ' HB3' ' B' ' 640' ' ' GLU . 19.9 mttt -65.29 -36.83 85.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.72 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.479 HG23 ' O ' ' C' ' 644' ' ' GLU . 1.1 tt -58.22 -37.71 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.037 0.446 . . . . 0.0 111.202 -179.65 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.633 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -65.12 -43.76 90.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.021 -179.826 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' C' ' 653' ' ' MET . 2.9 mt -58.9 -41.29 86.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.42 93.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.662 HD23 ' HG2' ' A' ' 652' ' ' GLN . 45.6 tp -67.03 -39.2 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.745 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.651 ' HG2' HD23 ' B' ' 651' ' ' LEU . 3.0 mm-40 -57.61 -43.37 84.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 653' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' C' ' 649' ' ' LEU . 19.0 mmt -66.64 -41.19 88.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.665 ' O ' HG13 ' C' ' 658' ' ' ILE . 34.8 tt0 -61.3 -40.83 95.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.548 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.461 HG22 ' O ' ' C' ' 651' ' ' LEU . 43.1 t -65.34 -41.96 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -39.66 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -42.47 98.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.735 179.595 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.665 HG13 ' O ' ' C' ' 654' ' ' GLU . 10.3 mt -71.39 -35.27 56.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.721 -179.703 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -50.16 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' C' ' 660' ' ' LYS . 18.6 mtmt -69.02 -32.87 72.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.51 -40.53 80.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.554 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.3 tt -63.75 -33.37 75.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.33 -29.17 34.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p -77.3 -17.75 58.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.554 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . 0.827 ' H3 ' ' C ' ' C' ' 602' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.2 81.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.964 0.411 . . . . 0.0 110.644 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.8 tpt -135.23 123.73 23.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.622 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.771 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 3.7 mm-40 -72.7 135.62 45.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.706 -179.715 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.75 80.02 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.758 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.92 121.0 25.5 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.586 -0.153 . . . . 0.0 110.586 179.841 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -85.14 147.92 10.35 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.672 2.248 . . . . 0.0 113.026 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.432 ' HB2' ' HB1' ' C' ' 607' ' ' ALA . 0.4 OUTLIER -157.81 124.05 4.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.055 0.455 . . . . 0.0 111.409 -179.881 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.46 ' HE2' ' NE ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -135.81 106.78 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.563 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.584 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 2.1 mm-40 -134.83 -60.39 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.978 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.584 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 68.0 Cg_endo -74.07 123.24 8.21 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.446 2.097 . . . . 0.0 112.353 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . 0.817 ' C ' ' H3 ' ' B' ' 591' ' ' GLY . . . -90.83 96.3 10.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.37 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . 0.681 ' N ' ' H3 ' ' B' ' 591' ' ' GLY . . . -142.13 169.51 17.44 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.358 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 1.3 m -54.21 -37.62 64.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.405 ' O ' HG21 ' A' ' 609' ' ' VAL . 2.1 t -62.1 -48.05 81.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.835 -179.743 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.37 84.6 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' B' ' 598' ' ' LYS . . . -60.21 -36.23 77.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.53 83.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.471 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.406 ' H ' HG21 ' A' ' 609' ' ' VAL . 2.4 t -67.52 -29.83 46.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.764 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 1.5 mt-10 -68.07 -41.04 82.53 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.17 0.509 . . . . 0.0 111.74 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.91 99.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' B' ' 613' ' ' ARG . 10.0 mt -66.03 -38.53 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.078 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.786 ' HA ' HD23 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -56.08 -47.01 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.003 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.22 -41.51 98.46 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -69.64 -36.01 75.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.937 0.399 . . . . 0.0 111.15 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.39 -46.44 86.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.468 ' HD2' ' O ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.05 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.347 -179.752 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -35.82 81.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.88 93.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.782 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.563 ' HA ' HD12 ' A' ' 623' ' ' ILE . 11.9 ttm180 -65.79 -36.25 83.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.31 -30.25 70.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 626' ' ' MET . 6.0 mt -69.85 -44.29 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.068 0.461 . . . . 0.0 111.626 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.8 mt -63.74 -35.57 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.243 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -42.83 78.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 -179.385 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.6 -40.63 76.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.983 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.536 ' SD ' HG23 ' B' ' 623' ' ' ILE . 9.5 mtt -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.419 ' HD3' ' HE2' ' A' ' 631' ' ' LYS . 0.9 OUTLIER -61.64 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -39.04 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.008 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.65 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.46 ' O ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -66.33 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.018 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.419 ' HE2' ' HD3' ' A' ' 627' ' ' LYS . 8.6 mmtt -66.37 -46.03 78.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -37.76 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.011 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.49 ' HB3' HG22 ' B' ' 634' ' ' ILE . 2.6 mm-40 -64.98 -46.98 79.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.998 0.428 . . . . 0.0 111.848 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.479 HG22 ' HB3' ' C' ' 633' ' ' GLU . 1.7 mt -63.07 -37.98 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.072 179.234 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.6 OUTLIER -63.99 -41.87 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.477 -179.551 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -35.17 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.947 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' B' ' 638' ' ' LEU . 4.6 mt -65.69 -44.67 85.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.639 HD23 ' HG ' ' C' ' 637' ' ' LEU . 4.0 mt -61.72 -39.16 90.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -39.87 90.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.77 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.4 ' OE1' HD12 ' B' ' 641' ' ' LEU . 36.1 tt0 -67.94 -39.62 83.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.625 ' HA ' HD23 ' B' ' 641' ' ' LEU . 0.4 OUTLIER -64.46 -40.67 96.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.759 179.58 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.05 -32.44 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.501 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -64.62 -47.63 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.231 179.231 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.444 ' HA ' HD11 ' A' ' 647' ' ' ILE . 65.2 tt0 -65.52 -34.74 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.95 -40.16 88.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -40.27 89.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 643' ' ' GLU . 3.8 mt -70.63 -38.35 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.01 0.434 . . . . 0.0 111.202 -179.696 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 1.0 OUTLIER -68.12 -40.78 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.991 -179.832 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -43.81 91.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -67.08 -34.27 77.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.623 ' HG ' ' HG3' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -60.34 -46.94 88.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.612 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 2.3 tt0 -59.21 -40.42 85.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.198 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.53 -31.13 71.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 111.344 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 658' ' ' ILE . 22.6 tt0 -67.88 -48.7 65.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.539 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.11 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.17 -39.16 89.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.96 55.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 654' ' ' GLU . 2.2 tt -64.2 -28.31 44.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.671 -179.658 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -70.7 -44.45 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.041 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.56 80.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.28 59.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.422 HD21 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.93 -31.18 71.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.504 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -28.53 44.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m -70.48 -39.17 74.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.073 -0.965 . . . . 0.0 111.103 179.931 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . 0.817 ' H3 ' ' C ' ' A' ' 602' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 81.5 1.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.911 0.386 . . . . 0.0 110.59 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.8 tpt -135.2 123.74 23.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.593 -179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.764 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 3.7 mm-40 -72.68 135.57 45.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.63 0.252 . . . . 0.0 110.733 -179.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 77.56 16.55 80.12 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.754 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.79 121.04 25.62 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -85.32 147.99 10.15 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.52 2.147 . . . . 0.0 112.968 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.445 ' HB2' ' HB1' ' A' ' 607' ' ' ALA . 0.4 OUTLIER -157.73 123.98 4.8 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.994 0.426 . . . . 0.0 111.508 -179.831 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.458 ' HE2' ' NE ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -135.83 106.87 6.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.504 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.602 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 2.2 mm-40 -134.84 -60.35 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.042 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.602 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.1 Cg_endo -74.16 123.28 8.19 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.439 2.093 . . . . 0.0 112.398 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . 0.826 ' C ' ' H3 ' ' C' ' 591' ' ' GLY . . . -90.88 96.31 10.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.364 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . 0.694 ' N ' ' H3 ' ' C' ' 591' ' ' GLY . . . -142.2 169.48 17.5 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.331 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 1.3 m -54.09 -37.64 64.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.416 ' O ' HG21 ' B' ' 609' ' ' VAL . 2.0 t -62.01 -48.08 81.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.88 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -37.3 84.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' C' ' 598' ' ' LYS . . . -60.23 -36.18 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.398 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.416 HG21 ' O ' ' B' ' 605' ' ' SER . 2.4 t -67.51 -29.87 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 -179.561 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.781 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 1.5 mt-10 -68.06 -40.96 82.68 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.206 0.527 . . . . 0.0 111.836 179.597 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.89 99.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.447 179.4 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' C' ' 613' ' ' ARG . 10.0 mt -65.92 -38.56 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.778 ' HA ' HD23 ' A' ' 612' ' ' LEU . 0.1 OUTLIER -56.12 -46.95 78.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.748 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.604 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -69.63 -36.12 75.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 111.086 -179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 68.6 t -66.31 -46.48 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.0 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.362 -179.768 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -35.77 81.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.496 ' O ' HG13 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.89 93.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 -179.805 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' B' ' 623' ' ' ILE . 11.9 ttm180 -65.84 -36.21 82.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.35 -30.3 70.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.62 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' B' ' 626' ' ' MET . 6.1 mt -69.83 -44.3 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.635 -179.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.9 mt -63.75 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.85 79.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.52 -40.68 76.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.03 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.54 ' SD ' HG23 ' C' ' 623' ' ' ILE . 9.5 mtt -62.97 -40.04 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.413 ' HD3' ' HE2' ' B' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.75 98.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.044 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.86 -39.05 90.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.075 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.68 79.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.47 ' O ' HD13 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -66.38 -32.13 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.717 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.413 ' HE2' ' HD3' ' B' ' 627' ' ' LYS . 8.5 mmtt -66.48 -46.0 77.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -37.84 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.032 179.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.503 ' HB3' HG22 ' C' ' 634' ' ' ILE . 2.6 mm-40 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.063 0.459 . . . . 0.0 111.885 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.49 HG22 ' HB3' ' A' ' 633' ' ' GLU . 1.7 mt -63.1 -37.98 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.03 179.281 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.6 OUTLIER -64.0 -41.85 97.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.462 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -35.14 80.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' C' ' 638' ' ' LEU . 4.6 mt -65.73 -44.66 85.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.649 HD23 ' HG ' ' A' ' 637' ' ' LEU . 4.1 mt -61.68 -39.31 90.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.082 -179.722 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -39.94 90.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.405 ' OE1' HD12 ' C' ' 641' ' ' LEU . 36.0 tt0 -67.91 -39.66 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.639 ' HA ' HD23 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.38 -40.76 96.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.778 179.524 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.94 -32.54 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.524 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.463 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.1 OUTLIER -64.56 -47.68 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.252 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' B' ' 647' ' ' ILE . 65.2 tt0 -65.48 -34.89 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.81 -40.16 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.4 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 643' ' ' GLU . 3.8 mt -70.56 -38.42 73.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 111.232 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.74 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.038 -179.82 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -43.92 91.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.764 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.89 -34.38 77.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.688 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.627 ' HG ' ' HG3' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.01 87.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.708 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.623 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 2.3 tt0 -59.1 -40.45 85.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.199 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.7 -30.93 71.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.338 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.557 ' O ' HG22 ' B' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.69 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.08 -35.56 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 0.0 111.171 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.22 -39.06 89.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -52.99 55.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.746 179.547 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.557 HG22 ' O ' ' B' ' 654' ' ' GLU . 2.2 tt -64.16 -28.32 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.694 -179.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.461 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -70.64 -44.44 67.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.026 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -35.56 80.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.7 -37.28 59.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.306 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.446 HD21 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -66.1 -31.09 71.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 179.62 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -28.51 44.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 2.7 m -70.51 -39.18 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.025 179.992 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . 0.826 ' H3 ' ' C ' ' B' ' 602' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 81.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.926 0.393 . . . . 0.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.8 tpt -135.28 123.74 23.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.541 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.781 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 3.7 mm-40 -72.59 135.5 45.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.754 -179.833 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.77 80.03 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.757 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.87 121.02 25.54 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -85.22 148.01 10.28 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.581 2.187 . . . . 0.0 113.016 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' B' ' 607' ' ' ALA . 0.4 OUTLIER -157.84 123.98 4.74 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.047 0.451 . . . . 0.0 111.438 -179.836 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.463 ' HE2' ' NE ' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -135.78 106.82 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.553 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.592 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 2.1 mm-40 -134.84 -60.33 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.958 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.592 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 66.8 Cg_endo -74.17 123.2 8.13 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.471 2.114 . . . . 0.0 112.38 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . 0.827 ' C ' ' H3 ' ' A' ' 591' ' ' GLY . . . -90.84 96.32 10.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.399 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . 0.688 ' N ' ' H3 ' ' A' ' 591' ' ' GLY . . . -142.18 169.55 17.37 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.34 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 1.3 m -54.22 -37.57 64.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.413 ' O ' HG21 ' C' ' 609' ' ' VAL . 2.1 t -62.08 -48.04 81.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.34 84.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 598' ' ' LYS . . . -60.32 -36.09 77.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.58 83.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.449 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.413 HG21 ' O ' ' C' ' 605' ' ' SER . 2.4 t -67.57 -29.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.771 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 1.5 mt-10 -68.1 -40.99 82.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 111.717 179.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.413 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 613' ' ' ARG . 10.0 mt -65.93 -38.54 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.754 ' HA ' HD23 ' B' ' 612' ' ' LEU . 0.1 OUTLIER -56.15 -46.89 79.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.019 -179.742 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.3 -41.47 98.53 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.624 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.404 ' HG3' ' NH1' ' A' ' 620' ' ' ARG . 31.5 tt0 -69.67 -36.04 75.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.115 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 68.5 t -66.31 -46.45 87.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.255 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.479 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -63.35 -45.23 92.17 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.334 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.504 ' O ' HG13 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -59.66 -43.93 93.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 -179.878 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.542 ' HA ' HD12 ' C' ' 623' ' ' ILE . 11.9 ttm180 -65.86 -36.25 82.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.36 -30.22 69.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.617 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' C' ' 626' ' ' MET . 6.0 mt -69.88 -44.25 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.662 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 623' ' ' ILE . 3.9 mt -63.74 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.245 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -42.85 79.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.49 -40.72 76.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.003 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.536 ' SD ' HG23 ' A' ' 623' ' ' ILE . 9.5 mtt -62.94 -40.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.42 ' HD3' ' HE2' ' C' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.7 98.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -39.02 90.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -63.92 -47.68 79.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.472 ' O ' HD13 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -66.35 -32.15 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.42 ' HE2' ' HD3' ' C' ' 627' ' ' LYS . 8.6 mmtt -66.46 -46.0 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.86 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.956 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG22 ' A' ' 634' ' ' ILE . 2.6 mm-40 -64.92 -47.03 79.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.083 0.468 . . . . 0.0 111.907 -178.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' B' ' 633' ' ' GLU . 1.7 mt -62.97 -38.0 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.106 179.193 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.479 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.6 OUTLIER -64.04 -41.84 97.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.43 -179.528 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -35.22 80.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.639 ' HG ' HD23 ' A' ' 638' ' ' LEU . 4.7 mt -65.65 -44.75 85.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.789 179.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' B' ' 637' ' ' LEU . 4.0 mt -61.59 -39.3 90.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.95 91.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.4 ' OE1' HD12 ' A' ' 641' ' ' LEU . 36.1 tt0 -67.95 -39.63 83.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' B' ' 641' ' ' LEU . 0.4 OUTLIER -64.4 -40.68 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 179.491 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.481 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.457 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.1 OUTLIER -64.61 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.205 179.276 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.433 ' HA ' HD11 ' C' ' 647' ' ' ILE . 65.2 tt0 -65.39 -34.95 79.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.74 -40.26 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.33 89.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.457 HG13 ' O ' ' C' ' 643' ' ' GLU . 3.8 mt -70.63 -38.38 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.072 0.463 . . . . 0.0 111.21 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.524 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.78 82.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.84 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -43.9 91.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.94 -34.28 77.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.612 ' HG ' ' HG3' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.04 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.627 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 2.3 tt0 -59.16 -40.42 85.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.19 -179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.62 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 111.343 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.55 ' O ' HG22 ' C' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.7 65.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.522 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.08 -35.58 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.14 -39.1 89.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.98 55.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.497 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.55 HG22 ' O ' ' C' ' 654' ' ' GLU . 2.2 tt -64.18 -28.33 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.674 -179.713 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -70.66 -44.42 67.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.0 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -35.57 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.65 -37.23 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.384 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.432 HD21 HG13 ' B' ' 658' ' ' ILE . 0.2 OUTLIER -66.06 -31.18 71.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.521 179.551 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -28.5 44.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m -70.46 -39.2 74.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.018 -179.949 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -65.07 135.99 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.644 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.434 ' HE3' ' HZ1' ' A' ' 596' ' ' LYS . 0.8 OUTLIER -104.06 174.1 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.551 -179.467 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.518 ' HB2' ' HA ' ' B' ' 621' ' ' SER . 4.8 tp10 -81.82 -50.32 9.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.704 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 116.92 -29.96 6.58 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.743 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.568 ' HE3' ' HA ' ' B' ' 618' ' ' GLU . 1.0 OUTLIER 56.6 70.97 1.26 Allowed Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 179.874 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.53 -17.02 6.5 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.556 2.171 . . . . 0.0 112.973 -179.522 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.558 ' HZ3' ' HG3' ' A' ' 615' ' ' GLN . 0.2 OUTLIER -128.58 63.87 1.44 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.137 0.494 . . . . 0.0 111.517 -179.904 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.797 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -75.94 -31.9 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.556 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.719 ' HG3' ' HD2' ' A' ' 601' ' ' PRO . 1.5 tp10 -90.35 144.23 30.62 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.978 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.719 ' HD2' ' HG3' ' A' ' 600' ' ' GLU . 67.4 Cg_endo -74.59 161.65 39.36 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.456 2.104 . . . . 0.0 112.39 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -65.76 155.46 36.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.403 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -56.92 -47.62 80.17 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.38 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 12.8 t -70.27 142.65 52.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 609' ' ' VAL . 11.2 m -68.13 -43.99 77.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.849 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -68.8 -38.87 80.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.794 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.437 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 605' ' ' SER . 3.5 t -66.34 -38.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 -179.536 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.5 -48.26 82.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.768 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.411 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 51.4 mt-10 -70.61 -28.31 64.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.455 179.357 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -49.89 68.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.518 HH11 ' HD3' ' C' ' 598' ' ' LYS . 7.7 tpp85 -64.51 -37.87 89.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 21.5 p -71.56 -27.6 63.27 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.683 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.558 ' HG3' ' HZ3' ' A' ' 598' ' ' LYS . 0.0 OUTLIER -73.14 -48.86 31.9 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 111.138 -179.457 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 1.4 t -68.69 -36.7 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.794 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.0 OUTLIER -63.61 -49.55 72.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.29 -179.709 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.556 ' HA ' ' HE3' ' C' ' 596' ' ' LYS . 0.3 OUTLIER -58.37 -43.76 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.968 179.705 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.486 HD22 HD12 ' B' ' 623' ' ' ILE . 19.6 tp -65.88 -36.78 84.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.472 ' HG2' HH22 ' A' ' 617' ' ' ARG . 0.0 OUTLIER -56.47 -42.62 78.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 621' ' ' SER . . . . . 0.508 ' HA ' ' HB2' ' C' ' 594' ' ' GLU . 0.3 OUTLIER -63.21 -38.15 90.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.559 179.526 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.51 HG23 HG22 ' B' ' 623' ' ' ILE . 24.7 mt -66.25 -36.71 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.591 -179.641 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.625 HD13 HD13 ' B' ' 623' ' ' ILE . 0.9 OUTLIER -62.76 -42.59 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -47.66 73.14 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.387 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.06 -40.29 97.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.539 ' HG2' ' NE2' ' B' ' 630' ' ' GLN . 5.7 ttm -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 15.0 ttmm -62.16 -49.13 77.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.084 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -29.2 68.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.008 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.4 OUTLIER -64.26 -48.91 73.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 3.1 pt20 -66.56 -31.96 73.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.577 ' O ' HG13 ' A' ' 634' ' ' ILE . 24.6 mttm -67.42 -41.39 84.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.48 -42.22 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.936 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 80.0 mt-10 -60.93 -44.9 96.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.883 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.5 pp -67.95 -33.86 63.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.073 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.75 -43.37 84.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.398 -179.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -44.83 76.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.594 ' HB3' HD22 ' C' ' 637' ' ' LEU . 6.6 mt -57.88 -42.15 84.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.597 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.507 ' HG ' HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -63.55 -42.32 98.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -179.749 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -34.52 76.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -72.19 -36.5 69.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.83 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -38.7 72.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.757 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . 0.457 ' O ' ' HD3' ' A' ' 646' ' ' LYS . 15.6 m-20 -63.57 -47.14 82.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.286 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -36.52 84.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.46 -33.39 62.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 650' ' ' ARG . 0.3 OUTLIER -63.34 -45.69 90.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -179.664 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 2.0 tt -72.94 -38.52 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.59 -42.19 99.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.059 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.789 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 646' ' ' LYS . 1.8 mmp_? -60.45 -37.77 82.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' B' ' 652' ' ' GLN . 22.6 tp -66.63 -39.4 88.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.667 ' HA ' HD11 ' C' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.84 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.127 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -44.4 89.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.323 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.95 -44.68 91.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.551 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.545 HG22 HD11 ' C' ' 651' ' ' LEU . 17.8 t -60.93 -40.72 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -34.37 77.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -44.39 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.798 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.614 HG21 HG23 ' C' ' 658' ' ' ILE . 6.6 mt -65.81 -38.06 81.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.742 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.24 83.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -34.55 76.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' B' ' 662' ' ' LEU . . . -70.15 -36.24 74.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.523 ' HG ' ' HZ2' ' C' ' 665' ' ' LYS . 0.6 OUTLIER -74.0 -31.09 62.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.531 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 663' ' ' GLN . 0.0 OUTLIER -76.65 -37.79 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.0 p -71.84 -43.35 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.721 ' OXT' ' HG3' ' A' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -64.97 135.94 56.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.887 0.375 . . . . 0.0 110.646 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.425 ' HE3' ' HZ1' ' B' ' 596' ' ' LYS . 0.8 OUTLIER -104.02 174.06 6.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.62 -179.571 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.525 ' HB2' ' HA ' ' C' ' 621' ' ' SER . 4.7 tp10 -81.75 -50.32 9.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.697 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 116.87 -29.96 6.59 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.749 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.557 ' HE3' ' HA ' ' C' ' 618' ' ' GLU . 1.0 OUTLIER 56.67 70.9 1.28 Allowed Pre-proline 0 CA--C 1.532 0.278 0 N-CA-C 110.623 -0.139 . . . . 0.0 110.623 179.835 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.44 -16.99 6.62 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.596 2.197 . . . . 0.0 113.011 -179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.557 ' HZ3' ' HG3' ' B' ' 615' ' ' GLN . 0.2 OUTLIER -128.57 63.78 1.44 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.031 0.443 . . . . 0.0 111.449 -179.81 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.769 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -76.0 -31.79 59.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.54 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.706 ' HG3' ' HD2' ' B' ' 601' ' ' PRO . 1.5 tp10 -90.41 144.28 30.6 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.972 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.706 ' HD2' ' HG3' ' B' ' 600' ' ' GLU . 67.1 Cg_endo -74.6 161.67 39.3 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.474 2.116 . . . . 0.0 112.378 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -65.78 155.54 35.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.358 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.58 80.55 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.328 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 12.8 t -70.3 142.69 52.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 -179.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.567 ' O ' HG23 ' B' ' 609' ' ' VAL . 11.5 m -68.14 -43.97 77.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.92 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.87 -38.77 79.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.78 88.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.94 75.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.434 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.567 HG23 ' O ' ' B' ' 605' ' ' SER . 3.5 t -66.42 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.594 -179.553 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.3 -48.44 81.6 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.193 0.52 . . . . 0.0 111.791 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.404 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 51.4 mt-10 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.436 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -49.94 68.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.081 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.51 HH11 ' HD3' ' A' ' 598' ' ' LYS . 7.7 tpp85 -64.49 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.072 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 21.5 p -71.58 -27.62 63.26 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.642 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.557 ' HG3' ' HZ3' ' B' ' 598' ' ' LYS . 0.0 OUTLIER -73.15 -48.83 32.12 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.014 0.435 . . . . 0.0 111.157 -179.4 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 1.4 t -68.66 -36.79 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.797 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -63.49 -49.62 72.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.568 ' HA ' ' HE3' ' A' ' 596' ' ' LYS . 0.3 OUTLIER -58.38 -43.76 88.63 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.998 179.657 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.49 HD22 HD12 ' C' ' 623' ' ' ILE . 19.6 tp -65.8 -36.74 84.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.471 ' HG2' HH22 ' B' ' 617' ' ' ARG . 0.0 OUTLIER -56.49 -42.71 78.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.518 ' HA ' ' HB2' ' A' ' 594' ' ' GLU . 0.3 OUTLIER -63.18 -38.16 90.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.652 179.556 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.508 HG23 HG22 ' C' ' 623' ' ' ILE . 25.2 mt -66.27 -36.65 77.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.625 HD13 HD13 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -62.76 -42.6 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -47.61 73.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.398 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -40.27 97.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.532 ' HG2' ' NE2' ' C' ' 630' ' ' GLN . 5.7 ttm -67.91 -40.89 83.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 15.0 ttmm -62.04 -49.27 76.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -29.07 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.4 OUTLIER -64.33 -48.89 73.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.788 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 3.1 pt20 -66.49 -32.0 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.578 ' O ' HG13 ' B' ' 634' ' ' ILE . 24.6 mttm -67.48 -41.29 84.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.5 -42.26 65.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.941 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 80.1 mt-10 -60.85 -44.9 96.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 111.882 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.578 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.5 pp -68.01 -33.85 63.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.072 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.8 -43.32 84.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.93 76.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.586 ' HB3' HD22 ' A' ' 637' ' ' LEU . 6.6 mt -57.9 -42.17 84.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.736 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.491 ' HG ' HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -63.45 -42.3 98.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.991 0.425 . . . . 0.0 111.221 -179.782 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -34.53 76.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.013 0.435 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -38.72 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.78 179.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' B' ' 646' ' ' LYS . 15.6 m-20 -63.51 -47.17 82.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.471 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.23 77.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.213 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -36.51 84.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.44 -33.38 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 650' ' ' ARG . 0.3 OUTLIER -63.39 -45.64 90.1 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 -179.637 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.98 -38.49 56.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 111.174 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.049 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.6 -42.78 99.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.77 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 646' ' ' LYS . 1.8 mmp_? -60.38 -37.92 82.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' C' ' 652' ' ' GLN . 22.6 tp -66.51 -39.38 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.659 ' HA ' HD11 ' A' ' 651' ' ' LEU . 3.5 mt-30 -55.88 -41.79 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 -179.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.323 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -59.03 -44.65 91.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.536 HG22 HD11 ' A' ' 651' ' ' LEU . 18.0 t -60.93 -40.73 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -34.32 77.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.36 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 179.559 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.606 HG21 HG23 ' A' ' 658' ' ' ILE . 6.6 mt -65.79 -38.07 81.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.65 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -44.16 83.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -34.58 76.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' C' ' 662' ' ' LEU . . . -70.08 -36.21 74.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.355 -179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.519 ' HG ' ' HZ2' ' A' ' 665' ' ' LYS . 0.6 OUTLIER -74.03 -31.15 62.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 179.549 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' B' ' 663' ' ' GLN . 0.0 OUTLIER -76.61 -37.92 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p -71.67 -43.48 65.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . 0.718 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.05 -0.976 . . . . 0.0 111.069 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -65.05 136.07 56.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.882 0.372 . . . . 0.0 110.69 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.429 ' HE3' ' HZ1' ' C' ' 596' ' ' LYS . 0.8 OUTLIER -104.16 174.13 6.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.539 -179.496 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.508 ' HB2' ' HA ' ' A' ' 621' ' ' SER . 4.8 tp10 -81.79 -50.29 9.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.717 -179.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 116.89 -29.96 6.58 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.699 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 618' ' ' GLU . 1.0 OUTLIER 56.65 70.91 1.27 Allowed Pre-proline 0 CA--C 1.533 0.291 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 179.849 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.44 -17.01 6.61 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.578 2.185 . . . . 0.0 113.033 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.545 ' HZ3' ' HG3' ' C' ' 615' ' ' GLN . 0.2 OUTLIER -128.56 63.82 1.44 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.004 0.431 . . . . 0.0 111.454 -179.827 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.794 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -75.92 -31.94 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.533 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.721 ' HG3' ' HD2' ' C' ' 601' ' ' PRO . 1.5 tp10 -90.37 144.26 30.62 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.721 ' HD2' ' HG3' ' C' ' 600' ' ' GLU . 67.1 Cg_endo -74.58 161.65 39.38 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.462 2.108 . . . . 0.0 112.382 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -65.82 155.45 36.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.427 -179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.57 80.39 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 12.9 t -70.26 142.66 52.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.554 ' O ' HG23 ' C' ' 609' ' ' VAL . 11.2 m -68.12 -43.99 77.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.83 -38.82 80.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.88 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.05 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.554 HG23 ' O ' ' C' ' 605' ' ' SER . 3.5 t -66.41 -38.85 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.635 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.34 -48.45 81.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.166 0.508 . . . . 0.0 111.771 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.407 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 51.4 mt-10 -70.56 -28.21 64.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.524 179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -49.88 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.087 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.517 HH11 ' HD3' ' B' ' 598' ' ' LYS . 7.7 tpp85 -64.49 -37.83 88.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.034 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 21.4 p -71.69 -27.49 63.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.695 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.545 ' HG3' ' HZ3' ' C' ' 598' ' ' LYS . 0.0 OUTLIER -73.08 -48.96 31.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.97 0.414 . . . . 0.0 111.141 -179.543 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 1.4 t -68.6 -36.74 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.227 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.769 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -63.59 -49.51 73.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.327 -179.727 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.557 ' HA ' ' HE3' ' B' ' 596' ' ' LYS . 0.3 OUTLIER -58.4 -43.73 88.68 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.002 179.653 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.492 HD22 HD12 ' A' ' 623' ' ' ILE . 19.6 tp -65.88 -36.7 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.464 ' HG2' HH22 ' C' ' 617' ' ' ARG . 0.0 OUTLIER -56.52 -42.67 78.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.893 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 621' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' B' ' 594' ' ' GLU . 0.3 OUTLIER -63.11 -38.17 90.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.475 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.488 HG23 HG22 ' A' ' 623' ' ' ILE . 25.0 mt -66.28 -36.74 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.581 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.624 HD13 HD13 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -62.68 -42.63 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -47.73 73.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.269 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.03 -40.37 97.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.998 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.526 ' HG2' ' NE2' ' A' ' 630' ' ' GLN . 5.6 ttm -67.82 -40.83 83.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 15.1 ttmm -62.09 -49.27 76.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.41 -29.23 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.047 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.4 OUTLIER -64.19 -48.88 74.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 3.1 pt20 -66.54 -31.9 72.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.014 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' C' ' 634' ' ' ILE . 24.5 mttm -67.47 -41.4 84.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.41 -42.18 65.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.02 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 80.1 mt-10 -60.98 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 111.861 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.5 pp -68.05 -33.76 62.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.112 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -66.82 -43.32 84.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -44.82 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 637' ' ' LEU . 6.6 mt -58.03 -42.08 84.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.502 ' HG ' HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -63.55 -42.25 98.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -179.827 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -34.58 76.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.855 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -72.12 -36.57 69.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.993 0.425 . . . . 0.0 110.839 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -38.73 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' C' ' 646' ' ' LYS . 15.4 m-20 -63.55 -47.09 82.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.476 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -34.19 77.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.283 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.912 179.799 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.765 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' C' ' 650' ' ' ARG . 0.3 OUTLIER -63.4 -45.64 90.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.242 -179.599 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.89 -38.47 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.092 0.472 . . . . 0.0 111.233 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.64 -42.21 99.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.59 -42.72 99.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' C' ' 646' ' ' LYS . 1.8 mmp_? -60.46 -37.85 82.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.667 HD11 ' HA ' ' A' ' 652' ' ' GLN . 22.4 tp -66.57 -39.37 88.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.664 ' HA ' HD11 ' B' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.83 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.121 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -44.36 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.327 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.98 -44.69 91.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.499 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.526 HG22 HD11 ' B' ' 651' ' ' LEU . 17.7 t -60.97 -40.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.74 -44.25 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.614 HG23 HG21 ' A' ' 658' ' ' ILE . 6.7 mt -65.94 -38.01 81.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.661 -179.714 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.19 83.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -34.58 76.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 662' ' ' LEU . . . -70.02 -36.23 74.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.516 ' HG ' ' HZ2' ' B' ' 665' ' ' LYS . 0.6 OUTLIER -74.13 -31.08 62.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.617 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . 0.402 ' HA ' HE21 ' C' ' 663' ' ' GLN . 0.0 OUTLIER -76.67 -37.82 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p -71.78 -43.46 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . 0.699 ' OXT' ' HG3' ' C' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.3 -40.77 64.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.954 0.407 . . . . 0.0 110.647 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.6 mtt -135.03 144.45 47.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.522 -179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.687 ' HB3' ' HG3' ' A' ' 597' ' ' PRO . 15.2 tt0 -99.86 22.82 10.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.767 -179.76 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.32 31.38 34.3 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.764 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.57 ' HZ3' HG23 ' B' ' 614' ' ' THR . 0.0 OUTLIER 50.48 57.78 17.41 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 110.607 -0.146 . . . . 0.0 110.607 179.832 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.687 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 92.4 Cg_endo -87.91 8.62 4.09 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.62 2.213 . . . . 0.0 113.081 -179.598 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.614 ' HZ3' ' HD3' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -130.81 137.26 49.34 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.076 0.465 . . . . 0.0 111.431 -179.808 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.455 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 3.0 tpt -115.36 153.12 31.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.485 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 599' ' ' MET . 0.1 OUTLIER -88.54 104.85 8.06 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.932 179.864 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 599' ' ' MET . 67.6 Cg_endo -73.06 -20.47 21.73 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.476 2.117 . . . . 0.0 112.445 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.57 124.22 24.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.425 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.75 78.35 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.34 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.0 145.14 25.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 -179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.7 m -66.54 -37.33 84.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.912 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.57 -37.31 82.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.74 83.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.49 -32.66 72.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.442 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.88 -40.12 84.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.65 -39.63 74.05 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.186 0.517 . . . . 0.0 111.761 179.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 615' ' ' GLN . 12.5 mt-10 -63.35 -42.63 98.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.492 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.694 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.1 mm? -65.33 -36.55 84.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.751 0.31 . . . . 0.0 111.056 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.687 ' HG2' HD21 ' C' ' 612' ' ' LEU . 10.4 mtt180 -59.29 -45.35 91.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 -179.801 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.572 HG23 ' HZ3' ' C' ' 596' ' ' LYS . 1.3 t -67.59 -28.15 67.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.656 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 611' ' ' GLU . 45.2 mm-40 -68.51 -48.15 65.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.155 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 613' ' ' ARG . 2.5 m -65.34 -41.91 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.618 ' HD3' ' HZ3' ' C' ' 598' ' ' LYS . 2.3 tpp180 -61.41 -45.49 94.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.287 -179.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.4 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 6.3 tp10 -66.55 -30.92 71.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 615' ' ' GLN . 28.2 mt -70.1 -39.85 75.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.997 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.639 HH11 ' HB2' ' A' ' 620' ' ' ARG . 0.1 OUTLIER -60.07 -44.99 94.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.822 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.9 p -67.69 -34.49 77.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.534 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.594 HG21 ' SD ' ' A' ' 626' ' ' MET . 1.4 mt -62.42 -46.86 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.472 HG12 HG12 ' C' ' 623' ' ' ILE . 3.1 mt -67.17 -41.8 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.296 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.33 -49.33 77.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 44.9 p -63.8 -49.9 71.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.02 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.594 ' SD ' HG21 ' A' ' 622' ' ' ILE . 3.9 mtt -59.2 -33.13 70.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.517 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 1.5 tmtm? -73.11 -39.21 65.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -47.58 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.67 -47.31 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.567 ' HZ2' ' HG3' ' C' ' 633' ' ' GLU . 0.0 OUTLIER -61.28 -39.81 91.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.903 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.04 -42.58 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.956 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' B' ' 634' ' ' ILE . 3.9 mm-40 -61.57 -37.97 85.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 111.904 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' C' ' 633' ' ' GLU . 2.3 mt -69.85 -41.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.045 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -43.15 97.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -35.01 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.2 OUTLIER -64.42 -46.57 82.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 179.697 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.594 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 1.1 mt -60.22 -41.95 94.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -41.16 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.76 -41.71 99.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.582 HD12 HD12 ' C' ' 641' ' ' LEU . 0.1 OUTLIER -62.36 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.768 179.615 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -36.83 75.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.489 -179.345 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.543 ' O ' HD11 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -66.87 -46.38 75.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.28 179.248 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.577 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 2.4 tt0 -64.74 -34.69 78.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.814 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.568 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.11 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.761 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.43 -49.44 75.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.543 HD11 ' O ' ' A' ' 643' ' ' GLU . 2.8 mt -66.25 -38.41 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 120.998 0.428 . . . . 0.0 111.198 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.7 ttp-105 -63.58 -39.95 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.69 -38.53 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.759 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -46.38 77.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.685 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' B' ' 652' ' ' GLN . 18.0 tp -59.79 -35.68 75.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.759 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.4 OUTLIER -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -46.96 78.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.631 ' O ' HG13 ' A' ' 658' ' ' ILE . 1.0 OUTLIER -62.39 -38.42 89.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.565 179.617 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.604 HG12 HD11 ' C' ' 651' ' ' LEU . 69.7 t -60.82 -42.87 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -179.566 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.72 -40.16 96.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.35 -36.42 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 654' ' ' GLU . 56.1 mt -68.93 -45.23 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.647 -179.673 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.501 ' HG3' HG12 ' C' ' 658' ' ' ILE . 9.4 tttm -64.97 -41.67 95.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 111.071 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.39 88.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.0 76.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.367 -179.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.48 -36.88 76.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 38.0 mt-30 -74.57 -34.77 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.42 -35.17 58.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.124 -0.941 . . . . 0.0 111.067 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.44 -40.68 64.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.5 mtt -134.97 144.45 47.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.553 -179.473 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.676 ' HB3' ' HG3' ' B' ' 597' ' ' PRO . 15.2 tt0 -99.88 22.75 10.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.735 -179.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.33 31.43 34.12 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.738 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.565 ' HZ3' HG23 ' C' ' 614' ' ' THR . 0.0 OUTLIER 50.44 57.83 17.41 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.591 -0.151 . . . . 0.0 110.591 179.813 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.676 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 94.0 Cg_endo -88.03 8.73 4.02 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.572 2.181 . . . . 0.0 112.973 -179.554 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.604 ' HZ3' ' HD3' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -130.85 137.21 49.28 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.081 0.467 . . . . 0.0 111.435 -179.888 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' B' ' 600' ' ' GLU . 3.0 tpt -115.26 153.13 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.58 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' B' ' 599' ' ' MET . 0.1 OUTLIER -88.54 104.89 8.12 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' B' ' 599' ' ' MET . 66.8 Cg_endo -73.14 -20.38 21.64 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.455 2.104 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.63 124.21 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.385 -179.783 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.78 78.39 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.334 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.98 145.07 25.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.652 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.6 m -66.47 -37.43 85.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.47 -37.33 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.25 -42.75 83.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.59 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.453 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 81.6 t -60.94 -40.12 84.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.607 -179.598 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.68 -39.65 74.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.708 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' B' ' 615' ' ' GLN . 12.6 mt-10 -63.34 -42.69 98.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.671 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -65.21 -36.57 84.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.694 ' HG2' HD21 ' A' ' 612' ' ' LEU . 10.4 mtt180 -59.37 -45.3 91.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.57 HG23 ' HZ3' ' A' ' 596' ' ' LYS . 1.3 t -67.65 -28.13 67.46 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.6 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' B' ' 611' ' ' GLU . 45.2 mm-40 -68.45 -48.24 65.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 111.16 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.485 HG21 ' O ' ' B' ' 613' ' ' ARG . 2.5 m -65.26 -41.94 92.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.614 ' HD3' ' HZ3' ' A' ' 598' ' ' LYS . 2.3 tpp180 -61.41 -45.4 94.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.286 -179.728 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.58 -30.9 71.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.014 179.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 615' ' ' GLN . 28.3 mt -70.14 -39.84 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.644 ' HB2' HH11 ' B' ' 620' ' ' ARG . 0.1 OUTLIER -60.19 -44.93 94.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 2.9 p -67.72 -34.47 76.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.587 HG21 ' SD ' ' B' ' 626' ' ' MET . 1.4 mt -62.46 -46.8 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.989 0.423 . . . . 0.0 111.574 -179.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.471 HG12 HG12 ' C' ' 623' ' ' ILE . 3.1 mt -67.28 -41.8 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.28 -49.34 77.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.27 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 44.9 p -63.78 -50.01 70.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.587 ' SD ' HG21 ' B' ' 622' ' ' ILE . 3.9 mtt -59.08 -33.16 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.494 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 1.5 tmtm? -73.06 -39.25 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.52 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -38.69 92.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.694 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.408 ' HB3' ' NE2' ' A' ' 630' ' ' GLN . 1.5 tp-100 -65.57 -47.37 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.975 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.56 ' HZ2' ' HG3' ' A' ' 633' ' ' GLU . 0.0 OUTLIER -61.34 -39.7 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.08 -42.54 99.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.948 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.657 ' HB3' HG23 ' C' ' 634' ' ' ILE . 3.9 mm-40 -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 111.853 -178.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 633' ' ' GLU . 2.3 mt -69.89 -41.02 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.056 179.267 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -43.06 97.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.518 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -35.04 79.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.985 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.597 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.2 OUTLIER -64.35 -46.56 82.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.778 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.598 HD11 ' O ' ' B' ' 634' ' ' ILE . 1.1 mt -60.27 -41.93 94.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.71 -41.73 99.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.26 -43.55 98.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.732 179.586 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.96 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.507 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.543 ' O ' HD11 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -66.74 -46.49 75.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 179.23 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.559 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 2.4 tt0 -64.75 -34.65 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.577 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 10.5 mttm -66.23 -40.12 90.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.48 -49.32 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.543 HD11 ' O ' ' B' ' 643' ' ' GLU . 2.8 mt -66.27 -38.44 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.052 0.453 . . . . 0.0 111.232 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.557 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -63.53 -39.99 95.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.042 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.61 -38.6 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -46.36 77.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' C' ' 652' ' ' GLN . 17.9 tp -59.84 -35.59 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.738 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.763 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.4 OUTLIER -63.33 -39.44 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.165 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -46.97 78.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.631 ' O ' HG13 ' B' ' 658' ' ' ILE . 1.0 OUTLIER -62.37 -38.54 89.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.498 179.638 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.612 HG12 HD11 ' A' ' 651' ' ' LEU . 70.1 t -60.72 -42.94 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.75 -40.11 95.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.38 -36.39 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.746 179.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.631 HG13 ' O ' ' B' ' 654' ' ' GLU . 55.8 mt -68.89 -45.22 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.755 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.512 ' HG3' HG12 ' A' ' 658' ' ' ILE . 9.4 tttm -65.0 -41.7 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.33 89.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.37 -33.99 76.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.42 -36.97 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' B' ' 659' ' ' LYS . 38.0 mt-30 -74.5 -34.81 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.35 -35.24 58.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.087 -0.958 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.587 -0.205 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.4 -40.72 64.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.657 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.5 mtt -134.96 144.45 47.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.539 -179.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.671 ' HB3' ' HG3' ' C' ' 597' ' ' PRO . 15.2 tt0 -99.89 22.85 10.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.757 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.28 31.39 34.39 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.809 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.572 ' HZ3' HG23 ' A' ' 614' ' ' THR . 0.0 OUTLIER 50.46 57.84 17.39 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 179.838 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.671 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 92.9 Cg_endo -88.03 8.69 4.04 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.567 2.178 . . . . 0.0 112.994 -179.535 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.618 ' HZ3' ' HD3' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -130.81 137.24 49.33 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.073 0.463 . . . . 0.0 111.468 -179.865 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' C' ' 600' ' ' GLU . 3.0 tpt -115.31 153.14 31.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' C' ' 599' ' ' MET . 0.1 OUTLIER -88.51 104.88 8.08 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.974 179.839 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' C' ' 599' ' ' MET . 66.7 Cg_endo -73.19 -20.34 21.57 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.419 2.079 . . . . 0.0 112.395 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.65 124.3 24.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.315 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.24 -34.78 78.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.385 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.02 145.07 25.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.643 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.6 m -66.44 -37.36 84.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.946 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -67.68 -37.23 82.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.26 -42.81 83.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.46 -32.64 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.403 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.97 -39.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.79 -39.51 74.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.138 0.494 . . . . 0.0 111.819 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' C' ' 615' ' ' GLN . 12.6 mt-10 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.442 179.386 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.687 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -65.23 -36.58 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.752 0.31 . . . . 0.0 111.13 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.671 ' HG2' HD21 ' B' ' 612' ' ' LEU . 10.4 mtt180 -59.38 -45.31 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.021 -179.784 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.565 HG23 ' HZ3' ' B' ' 596' ' ' LYS . 1.3 t -67.6 -28.14 67.5 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.638 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' C' ' 611' ' ' GLU . 45.2 mm-40 -68.47 -48.17 65.2 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.065 0.459 . . . . 0.0 111.186 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.485 HG21 ' O ' ' C' ' 613' ' ' ARG . 2.5 m -65.36 -41.84 92.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.604 ' HD3' ' HZ3' ' B' ' 598' ' ' LYS . 2.3 tpp180 -61.51 -45.41 94.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.746 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.52 -30.92 71.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' C' ' 615' ' ' GLN . 28.1 mt -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.78 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.651 HH11 ' HB2' ' C' ' 620' ' ' ARG . 0.1 OUTLIER -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.86 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 2.9 p -67.73 -34.42 76.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.646 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.588 HG21 ' SD ' ' C' ' 626' ' ' MET . 1.4 mt -62.56 -46.72 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.539 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.29 -41.74 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.38 -49.29 77.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.434 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 45.0 p -63.8 -49.98 70.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.588 ' SD ' HG21 ' C' ' 622' ' ' ILE . 3.9 mtt -59.22 -33.04 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.506 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 1.5 tmtm? -73.09 -39.25 65.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.49 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -38.63 91.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.404 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.56 -47.34 76.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.976 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.57 ' HZ2' ' HG3' ' B' ' 633' ' ' GLU . 0.0 OUTLIER -61.41 -39.71 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -61.98 -42.61 99.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.999 179.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.666 ' HB3' HG23 ' A' ' 634' ' ' ILE . 3.9 mm-40 -61.48 -38.09 86.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 111.878 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' B' ' 633' ' ' GLU . 2.3 mt -69.83 -40.99 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.156 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.1 97.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.466 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -35.01 79.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.594 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.2 OUTLIER -64.36 -46.6 82.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.595 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.597 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 1.1 mt -60.17 -41.94 93.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.204 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.23 91.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.59 -41.75 99.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.029 0.443 . . . . 0.0 110.944 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.582 HD12 HD12 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.34 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.808 179.582 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -36.84 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.55 -179.399 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.531 ' O ' HD11 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -66.79 -46.45 75.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.21 179.207 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.568 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 2.4 tt0 -64.81 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.559 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.19 90.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.39 -49.42 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.531 HD11 ' O ' ' C' ' 643' ' ' GLU . 2.8 mt -66.28 -38.36 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.998 0.428 . . . . 0.0 111.223 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.542 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.7 ttp-105 -63.61 -39.87 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.76 -38.54 89.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -66.01 -46.5 77.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.759 HD13 ' HG3' ' A' ' 652' ' ' GLN . 17.9 tp -59.78 -35.61 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.737 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.175 -179.795 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -47.06 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.327 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.633 ' O ' HG13 ' C' ' 658' ' ' ILE . 1.0 OUTLIER -62.29 -38.45 89.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.573 179.578 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.622 HG12 HD11 ' B' ' 651' ' ' LEU . 69.9 t -60.86 -42.84 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.82 -40.03 95.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -36.46 84.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.633 HG13 ' O ' ' C' ' 654' ' ' GLU . 56.3 mt -68.99 -45.15 80.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.668 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.513 ' HG3' HG12 ' B' ' 658' ' ' ILE . 9.4 tttm -65.03 -41.62 95.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -45.34 88.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.34 -34.05 76.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.45 -36.88 77.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.503 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' C' ' 659' ' ' LYS . 38.0 mt-30 -74.58 -34.74 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -35.24 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.46 -38.23 49.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.663 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 28.2 mtt -147.51 158.99 44.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.586 -179.541 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.696 ' HB3' ' HG3' ' A' ' 597' ' ' PRO . 20.1 tt0 -107.09 10.7 30.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.761 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.26 16.4 50.29 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.739 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.701 ' HA ' ' HB ' ' B' ' 614' ' ' THR . 0.0 OUTLIER 70.11 59.96 0.52 Allowed Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 179.827 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.696 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 92.2 Cg_endo -86.31 -14.51 4.79 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.627 2.218 . . . . 0.0 112.98 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.612 ' HZ3' ' HD3' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -107.87 148.23 29.88 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.016 0.436 . . . . 0.0 111.427 -179.806 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.492 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 4.2 tpt -121.33 150.78 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.634 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.546 ' HB3' ' HE ' ' B' ' 613' ' ' ARG . 1.3 pt-20 -85.04 105.31 6.22 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 599' ' ' MET . 67.8 Cg_endo -73.28 -16.32 24.94 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.453 2.102 . . . . 0.0 112.436 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 607' ' ' ALA . . . -79.84 118.73 21.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.386 -179.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.88 -35.74 81.63 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.043 0.449 . . . . 0.0 111.386 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 607' ' ' ALA . 14.6 m -85.74 145.56 27.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.617 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.0 m -63.58 -44.36 94.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.38 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 602' ' ' ALA . . . -62.27 -37.32 85.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.47 ' HB3' HG13 ' B' ' 609' ' ' VAL . . . -69.17 -36.78 77.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.43 -179.701 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.484 HG13 ' HB3' ' C' ' 608' ' ' ALA . 74.6 t -66.49 -36.84 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.608 -179.561 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.63 84.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.15 0.5 . . . . 0.0 111.772 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.66 ' O ' HG22 ' A' ' 614' ' ' THR . 3.5 mt-10 -60.17 -37.83 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.468 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.498 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.2 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.542 ' HE ' ' HB3' ' C' ' 600' ' ' GLU . 4.1 mmt180 -55.05 -46.44 75.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.691 ' HB ' ' HA ' ' C' ' 596' ' ' LYS . 5.2 t -69.34 -29.44 67.25 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.63 179.779 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 611' ' ' GLU . 2.0 mt-30 -68.83 -43.52 75.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 4.0 m -68.75 -37.28 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.603 ' HD3' ' HZ3' ' C' ' 598' ' ' LYS . 1.9 tpp180 -62.76 -49.74 73.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.342 -179.729 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.58 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 8.0 tp10 -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.676 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' B' ' 619' ' ' LEU . 0.2 OUTLIER -61.12 -46.94 88.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 -179.776 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.592 ' HA ' HD13 ' A' ' 623' ' ' ILE . 1.0 OUTLIER -62.26 -34.31 76.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.856 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 5.9 m -67.4 -34.67 77.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 619' ' ' LEU . 9.1 mt -63.93 -44.78 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.619 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' A' ' 620' ' ' ARG . 1.5 mt -66.17 -34.96 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.52 -50.79 62.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -45.81 91.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.977 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.604 ' SD ' HG21 ' A' ' 622' ' ' ILE . 3.9 mtt -61.2 -37.5 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.766 ' HZ3' ' HB3' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -65.24 -41.72 94.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.085 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . 0.46 ' HB3' HH12 ' A' ' 632' ' ' ARG . 0.7 OUTLIER -63.86 -39.16 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.815 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.766 ' HB3' ' HZ3' ' B' ' 627' ' ' LYS . 7.2 tp-100 -60.92 -49.51 77.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -34.55 75.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.992 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.88 -32.05 68.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . 0.46 HH12 ' HB3' ' A' ' 628' ' ' ASP . 0.1 OUTLIER -65.51 -44.48 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.016 179.643 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.53 -39.3 88.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.048 0.451 . . . . 0.0 111.951 -179.054 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.675 HG22 HD11 ' A' ' 638' ' ' LEU . 6.8 mt -63.59 -38.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.12 179.215 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -44.71 87.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.496 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -32.96 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.05 -40.36 90.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.675 HD11 HG22 ' A' ' 634' ' ' ILE . 1.5 mt -64.89 -38.16 90.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.113 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -38.51 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -65.61 -42.87 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.499 ' N ' HD11 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.85 -43.42 96.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.795 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -34.17 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.519 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -66.38 -42.53 87.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.223 179.288 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.56 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 11.0 tt0 -72.18 -33.85 67.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.52 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -41.29 97.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.7 mt -70.97 -44.0 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 111.194 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.56 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.6 ttp-105 -58.75 -37.63 76.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.065 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.49 -44.78 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 650' ' ' ARG . 5.3 tmm_? -61.47 -34.68 75.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.752 HD13 ' HA ' ' B' ' 652' ' ' GLN . 19.9 tp -66.07 -36.81 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.737 ' HA ' HD13 ' C' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.81 79.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.127 -179.791 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.278 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.82 87.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.495 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' C' ' 654' ' ' GLU . 13.9 t -66.22 -47.96 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.175 -179.42 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.86 -46.82 83.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.5 mt -71.28 -35.93 59.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.658 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.74 -44.05 74.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.31 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.53 91.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.77 72.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.4 HD13 HG21 ' C' ' 658' ' ' ILE . 0.9 OUTLIER -63.67 -27.68 69.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 179.628 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -39.32 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -17.39 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 -38.31 50.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 28.3 mtt -147.45 158.98 44.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.591 -179.504 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.697 ' HB3' ' HG3' ' B' ' 597' ' ' PRO . 20.2 tt0 -107.1 10.72 30.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.734 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.23 50.72 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.775 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.677 ' HA ' ' HB ' ' C' ' 614' ' ' THR . 0.0 OUTLIER 70.17 60.02 0.51 Allowed Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 110.637 -0.135 . . . . 0.0 110.637 179.858 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.697 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.5 Cg_endo -86.4 -14.49 4.71 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.578 2.186 . . . . 0.0 112.958 -179.532 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.614 ' HZ3' ' HD3' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -107.84 148.3 29.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.968 0.413 . . . . 0.0 111.514 -179.865 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.5 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 4.3 tpt -121.43 150.75 41.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.552 ' HB3' ' HE ' ' C' ' 613' ' ' ARG . 1.3 pt-20 -85.03 105.29 6.18 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.965 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' B' ' 599' ' ' MET . 68.2 Cg_endo -73.27 -16.38 24.93 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.44 2.094 . . . . 0.0 112.426 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' B' ' 607' ' ' ALA . . . -79.85 118.75 21.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.43 -179.797 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.67 81.46 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 604' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' B' ' 607' ' ' ALA . 14.6 m -85.76 145.6 27.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.232 -179.656 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.9 m -63.51 -44.43 94.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -42.33 96.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' B' ' 602' ' ' ALA . . . -62.33 -37.3 85.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.823 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.47 ' HB3' HG13 ' C' ' 609' ' ' VAL . . . -69.05 -36.83 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' A' ' 608' ' ' ALA . 74.4 t -66.49 -36.85 78.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.62 84.66 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 111.769 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.646 ' O ' HG22 ' B' ' 614' ' ' THR . 3.5 mt-10 -60.25 -37.73 81.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 179.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.19 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.546 ' HE ' ' HB3' ' A' ' 600' ' ' GLU . 4.1 mmt180 -55.09 -46.5 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.701 ' HB ' ' HA ' ' A' ' 596' ' ' LYS . 5.2 t -69.33 -29.37 67.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.638 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 611' ' ' GLU . 2.0 mt-30 -68.85 -43.49 75.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.987 0.422 . . . . 0.0 111.087 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 4.0 m -68.79 -37.24 77.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.612 ' HD3' ' HZ3' ' A' ' 598' ' ' LYS . 2.0 tpp180 -62.83 -49.69 73.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.384 -179.737 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 8.1 tp10 -69.35 -29.62 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 179.646 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 619' ' ' LEU . 0.2 OUTLIER -61.12 -46.99 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.985 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.582 ' HA ' HD13 ' B' ' 623' ' ' ILE . 1.0 OUTLIER -62.14 -34.42 76.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.38 -34.59 77.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 179.498 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' B' ' 619' ' ' LEU . 9.2 mt -63.95 -44.87 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.557 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' B' ' 620' ' ' ARG . 1.5 mt -66.11 -35.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.17 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.4 -50.92 61.83 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.56 -45.87 90.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.608 ' SD ' HG21 ' B' ' 622' ' ' ILE . 3.9 mtt -61.22 -37.4 82.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.864 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.766 ' HZ3' ' HB3' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -65.35 -41.66 93.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.847 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . 0.454 ' HB3' HH12 ' B' ' 632' ' ' ARG . 0.7 OUTLIER -63.81 -39.29 93.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.046 -179.868 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.774 ' HB3' ' HZ3' ' C' ' 627' ' ' LYS . 7.2 tp-100 -60.86 -49.46 77.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.741 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -34.56 75.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 -179.734 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.8 -32.07 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.454 HH12 ' HB3' ' B' ' 628' ' ' ASP . 0.1 OUTLIER -65.54 -44.37 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.022 179.642 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.65 -39.24 88.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 111.93 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.686 HG22 HD11 ' B' ' 638' ' ' LEU . 6.9 mt -63.62 -38.45 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.14 179.204 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -44.82 87.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.44 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.0 -40.41 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.686 HD11 HG22 ' B' ' 634' ' ' ILE . 1.6 mt -64.85 -38.14 89.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.5 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -65.62 -42.83 91.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.499 HD11 ' N ' ' A' ' 641' ' ' LEU . 0.5 OUTLIER -63.89 -43.44 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.724 179.586 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.488 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.432 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -66.32 -42.52 88.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.298 179.237 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.558 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 11.0 tt0 -72.22 -33.89 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.46 -43.13 99.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.754 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.8 mt -71.01 -43.97 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 111.164 -179.637 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.56 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -58.72 -37.69 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.063 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.44 -44.9 85.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.64 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 650' ' ' ARG . 5.3 tmm_? -61.42 -34.7 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.691 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.734 HD13 ' HA ' ' C' ' 652' ' ' GLN . 19.9 tp -66.06 -36.79 84.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.741 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.752 ' HA ' HD13 ' A' ' 651' ' ' LEU . 0.1 OUTLIER -56.32 -43.82 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.108 -179.768 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -40.71 96.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.881 0.372 . . . . 0.0 111.367 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.524 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.83 87.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 179.569 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.505 HG12 ' HB3' ' A' ' 654' ' ' GLU . 13.8 t -66.15 -48.0 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 -179.484 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.46 -28.7 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.91 -46.83 83.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.524 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.5 mt -71.28 -35.91 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.66 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.77 -44.05 74.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.43 90.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.66 72.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.301 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.407 HD13 HG21 ' A' ' 658' ' ' ILE . 0.9 OUTLIER -63.61 -27.71 69.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -39.32 62.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.67 -17.26 54.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.096 -0.954 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 -38.37 50.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.956 0.408 . . . . 0.0 110.668 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 28.2 mtt -147.5 159.05 44.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.548 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.671 ' HB3' ' HG3' ' C' ' 597' ' ' PRO . 20.1 tt0 -107.07 10.63 30.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.719 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.33 16.27 50.54 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.803 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.691 ' HA ' ' HB ' ' A' ' 614' ' ' THR . 0.0 OUTLIER 70.08 60.1 0.52 Allowed Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.634 -0.136 . . . . 0.0 110.634 179.903 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.671 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 93.5 Cg_endo -86.42 -14.5 4.68 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.569 2.179 . . . . 0.0 112.953 -179.52 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.603 ' HZ3' ' HD3' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -107.86 148.33 29.72 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.006 0.431 . . . . 0.0 111.488 -179.859 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.491 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 4.3 tpt -121.37 150.74 41.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.599 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.542 ' HB3' ' HE ' ' A' ' 613' ' ' ARG . 1.3 pt-20 -85.04 105.36 6.34 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.958 179.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' C' ' 599' ' ' MET . 66.5 Cg_endo -73.38 -16.34 24.68 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.421 2.081 . . . . 0.0 112.33 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' C' ' 607' ' ' ALA . . . -79.94 118.75 21.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.375 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.88 -35.74 81.65 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.385 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 604' ' ' SER . . . . . 0.461 ' HB2' ' HB2' ' C' ' 607' ' ' ALA . 14.6 m -85.67 145.61 27.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.178 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.0 m -63.52 -44.46 94.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.37 -42.32 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' C' ' 602' ' ' ALA . . . -62.28 -37.29 84.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.484 ' HB3' HG13 ' A' ' 609' ' ' VAL . . . -69.15 -36.74 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' B' ' 608' ' ' ALA . 74.2 t -66.54 -36.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.39 -38.6 84.46 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.131 0.491 . . . . 0.0 111.784 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.652 ' O ' HG22 ' C' ' 614' ' ' THR . 3.5 mt-10 -60.28 -37.76 81.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.41 179.446 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.494 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -70.86 -38.16 73.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 111.092 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.552 ' HE ' ' HB3' ' B' ' 600' ' ' GLU . 4.1 mmt180 -55.05 -46.51 75.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.677 ' HB ' ' HA ' ' B' ' 596' ' ' LYS . 5.2 t -69.37 -29.42 67.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.631 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' C' ' 611' ' ' GLU . 2.0 mt-30 -68.81 -43.45 75.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 111.163 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 4.0 m -68.87 -37.17 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.614 ' HD3' ' HZ3' ' B' ' 598' ' ' LYS . 2.0 tpp180 -62.9 -49.67 73.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.304 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.592 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 8.1 tp10 -69.38 -29.52 67.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 619' ' ' LEU . 0.2 OUTLIER -61.22 -46.98 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.83 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -62.12 -34.38 76.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.981 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.51 -34.54 77.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' C' ' 619' ' ' LEU . 9.2 mt -63.9 -44.85 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.652 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' C' ' 620' ' ' ARG . 1.5 mt -66.17 -34.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.219 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.53 -50.87 61.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -45.88 90.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.597 ' SD ' HG21 ' C' ' 622' ' ' ILE . 3.8 mtt -61.23 -37.43 83.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.774 ' HZ3' ' HB3' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.858 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . 0.465 ' HB3' HH12 ' C' ' 632' ' ' ARG . 0.7 OUTLIER -63.89 -39.22 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.899 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.766 ' HB3' ' HZ3' ' A' ' 627' ' ' LYS . 7.2 tp-100 -60.85 -49.51 77.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.811 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -34.58 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.77 -32.11 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . 0.465 HH12 ' HB3' ' C' ' 628' ' ' ASP . 0.1 OUTLIER -65.53 -44.47 86.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.953 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.52 -39.36 88.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 111.935 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.666 HG22 HD11 ' C' ' 638' ' ' LEU . 6.9 mt -63.57 -38.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.098 179.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -44.73 87.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -33.05 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.99 -40.44 91.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.781 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.666 HD11 HG22 ' C' ' 634' ' ' ILE . 1.5 mt -64.8 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.749 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -38.51 89.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -65.58 -42.91 91.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 179.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.497 HD11 ' N ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.82 -43.52 96.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.745 179.574 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -34.27 76.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.522 -179.382 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.425 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -66.25 -42.68 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.224 179.282 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.56 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 11.0 tt0 -72.16 -33.86 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.55 -43.16 99.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.663 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.28 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.231 -179.618 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.7 mt -70.94 -43.95 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.114 0.483 . . . . 0.0 111.253 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.558 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.6 ttp-105 -58.8 -37.65 76.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.022 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.4 -44.89 86.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -61.41 -34.7 75.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.737 HD13 ' HA ' ' A' ' 652' ' ' GLN . 19.9 tp -66.0 -36.82 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.734 ' HA ' HD13 ' B' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.85 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.191 -179.838 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -40.74 96.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.526 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.58 -37.79 87.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.524 179.59 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.493 HG12 ' HB3' ' B' ' 654' ' ' GLU . 13.7 t -66.14 -48.03 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.43 -28.68 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.94 -46.86 82.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.716 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.526 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.5 mt -71.31 -35.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.662 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.76 -44.09 74.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -38.55 91.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.414 HD13 HG21 ' B' ' 658' ' ' ILE . 0.9 OUTLIER -63.65 -27.7 69.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.53 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -39.36 62.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -17.35 54.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' B' ' 615' ' ' GLN . 1.2 t60 -73.08 -44.69 60.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.003 0.43 . . . . 0.0 110.686 179.857 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 26.5 mtt -134.86 135.51 41.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.63 -179.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' B' ' 618' ' ' GLU . 14.6 tt0 -78.54 -8.6 58.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.696 -179.716 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.99 22.71 6.77 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.742 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.567 ' HA ' ' HB ' ' B' ' 614' ' ' THR . 0.0 OUTLIER 61.12 55.93 3.34 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 110.591 -0.152 . . . . 0.0 110.591 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.452 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 93.4 Cg_endo -86.83 -5.38 7.93 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.623 2.215 . . . . 0.0 112.984 -179.529 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.696 ' HD2' ' HB3' ' B' ' 613' ' ' ARG . 0.1 OUTLIER -122.8 135.62 54.6 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.044 0.449 . . . . 0.0 111.441 -179.798 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.409 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 24.1 ttt -105.62 156.12 18.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.626 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 106.16 11.94 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 599' ' ' MET . 67.4 Cg_endo -72.17 -21.65 23.37 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.474 2.116 . . . . 0.0 112.37 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -69.81 124.17 23.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.395 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.88 86.49 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.4 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.46 148.61 24.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.215 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' B' ' 605' ' ' SER . 58.2 m -68.68 -41.04 79.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -65.61 -44.07 87.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.85 -43.7 90.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . 0.444 ' HB3' HG11 ' B' ' 609' ' ' VAL . . . -63.36 -32.04 73.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.416 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.427 HG11 ' HB3' ' C' ' 608' ' ' ALA . 83.1 t -65.75 -35.47 75.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.547 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.3 OUTLIER -61.1 -32.49 72.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 111.838 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 614' ' ' THR . 3.3 mt-10 -65.73 -39.82 91.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.442 179.448 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.502 ' HB3' ' HG ' ' C' ' 612' ' ' LEU . 2.2 mm? -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.69 ' HB3' ' HD2' ' C' ' 598' ' ' LYS . 5.1 mtt180 -59.25 -45.46 91.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 611' ' ' GLU . 3.4 t -71.05 -37.4 72.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.608 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' C' ' 592' ' ' HIS . 32.9 mt-30 -62.41 -50.65 70.66 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 111.123 -179.409 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.491 ' HA ' HD11 ' A' ' 619' ' ' LEU . 30.3 m -63.39 -43.59 98.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.41 ' N ' HG21 ' A' ' 616' ' ' VAL . 1.5 tpp180 -56.42 -52.12 65.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.389 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 10.4 tp10 -64.58 -33.65 76.42 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 179.641 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.83 -48.31 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.677 ' HA ' HD13 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -62.02 -41.02 97.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.907 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -62.0 -34.47 76.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.98 -45.75 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.603 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 620' ' ' ARG . 2.0 mt -67.51 -34.19 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.98 -52.77 54.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -179.38 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.25 -38.44 90.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.013 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.542 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 4.1 mtt -60.6 -44.15 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.694 ' HZ3' ' HB3' ' C' ' 629' ' ' GLN . 0.1 OUTLIER -67.72 -35.93 79.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . 0.537 ' HB3' ' NH2' ' A' ' 632' ' ' ARG . 0.7 OUTLIER -67.24 -40.48 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.004 -179.814 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.683 ' HB3' ' HZ3' ' B' ' 627' ' ' LYS . 0.5 OUTLIER -66.48 -46.13 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.539 ' HA ' ' OE1' ' A' ' 630' ' ' GLN . 0.4 OUTLIER -64.89 -37.99 89.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.804 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 1.8 tttp -61.02 -41.3 96.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . 0.537 ' NH2' ' HB3' ' A' ' 628' ' ' ASP . 6.3 mtm180 -64.18 -37.61 88.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.98 179.669 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.27 -41.66 99.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.065 0.46 . . . . 0.0 111.891 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.446 HG23 HD13 ' C' ' 637' ' ' LEU . 61.6 mt -67.79 -47.64 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.101 179.242 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -52.8 -49.04 66.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.444 -179.541 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -39.94 78.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.921 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.443 HD13 HG23 ' B' ' 634' ' ' ILE . 1.0 OUTLIER -62.93 -35.39 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.688 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' C' ' 637' ' ' LEU . 0.2 OUTLIER -64.75 -40.87 96.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.752 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.31 -36.11 78.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.39 -40.17 89.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.011 0.434 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -43.74 86.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.746 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.02 -39.8 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.484 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.533 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 tp10 -60.69 -41.58 95.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.203 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.476 ' HG3' ' HE2' ' B' ' 645' ' ' LYS . 0.3 OUTLIER -65.35 -32.92 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.856 179.88 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.477 ' HE2' ' HG3' ' C' ' 644' ' ' GLU . 18.1 mmtt -65.73 -36.77 84.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.27 -48.41 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -64.96 -40.2 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.065 0.46 . . . . 0.0 111.211 -179.656 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.433 ' HE ' HE22 ' A' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.09 90.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -43.58 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -63.32 -34.81 78.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.687 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.507 ' CD1' ' HG3' ' B' ' 652' ' ' GLN . 13.7 tp -64.05 -44.87 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.502 ' HG3' ' CD1' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -53.58 -41.83 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 -179.764 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 653' ' ' MET . . . . . 0.523 ' HE1' ' HA ' ' A' ' 653' ' ' MET . 0.4 OUTLIER -60.76 -40.64 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.302 -179.715 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . 0.472 ' O ' HG13 ' A' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.96 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.59 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.07 -46.96 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.14 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.71 -29.08 69.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.32 -46.5 76.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.4 mt -67.09 -38.59 81.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.726 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.06 -41.82 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.83 76.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.328 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -27.88 68.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.54 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.84 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.3 m -74.47 -63.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.076 -179.975 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' C' ' 615' ' ' GLN . 1.2 t60 -73.16 -44.6 59.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.98 0.419 . . . . 0.0 110.689 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 26.5 mtt -134.86 135.49 41.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.658 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' C' ' 618' ' ' GLU . 14.6 tt0 -78.57 -8.54 58.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.711 -179.772 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.94 22.83 6.72 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.764 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.584 ' HA ' ' HB ' ' C' ' 614' ' ' THR . 0.0 OUTLIER 61.1 55.87 3.35 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 179.833 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.439 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.8 Cg_endo -86.83 -5.35 7.93 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.647 2.231 . . . . 0.0 112.95 -179.469 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.681 ' HD2' ' HB3' ' C' ' 613' ' ' ARG . 0.1 OUTLIER -122.87 135.75 54.62 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.078 0.466 . . . . 0.0 111.394 -179.839 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.413 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 24.0 ttt -105.67 156.02 18.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.57 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 106.12 11.84 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.984 179.885 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' B' ' 599' ' ' MET . 67.8 Cg_endo -72.11 -21.65 23.59 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.492 2.128 . . . . 0.0 112.45 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -69.75 124.22 23.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.447 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.75 85.86 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.352 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.54 148.51 24.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.226 -179.7 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' C' ' 605' ' ' SER . 58.3 m -68.61 -41.09 80.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.858 -179.767 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -65.65 -44.01 87.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.79 90.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . 0.436 ' HB3' HG11 ' C' ' 609' ' ' VAL . . . -63.32 -31.98 73.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 608' ' ' ALA . 83.0 t -65.82 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 -179.479 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.552 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.3 OUTLIER -61.2 -32.62 72.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.167 0.508 . . . . 0.0 111.764 179.651 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.6 ' O ' HG22 ' B' ' 614' ' ' THR . 3.3 mt-10 -65.51 -39.92 92.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 179.382 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.506 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 2.2 mm? -71.03 -33.79 70.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.696 ' HB3' ' HD2' ' A' ' 598' ' ' LYS . 5.1 mtt180 -59.3 -45.48 91.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.013 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.6 HG22 ' O ' ' B' ' 611' ' ' GLU . 3.4 t -71.11 -37.25 72.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.664 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 592' ' ' HIS . 33.0 mt-30 -62.46 -50.71 70.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.997 0.427 . . . . 0.0 111.171 -179.531 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' B' ' 619' ' ' LEU . 30.2 m -63.3 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.41 ' N ' HG21 ' B' ' 616' ' ' VAL . 1.5 tpp180 -56.41 -52.19 65.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.277 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 10.4 tp10 -64.55 -33.6 76.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 179.693 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.536 ' HB3' HD22 ' A' ' 619' ' ' LEU . 0.3 OUTLIER -55.84 -48.33 75.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.664 ' HA ' HD13 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -62.08 -40.97 97.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.99 -34.44 76.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.02 -45.7 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.636 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' B' ' 620' ' ' ARG . 2.0 mt -67.6 -34.09 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.09 -52.7 54.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.35 -38.39 89.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.957 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.544 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 4.2 mtt -60.58 -44.14 96.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.683 ' HZ3' ' HB3' ' A' ' 629' ' ' GLN . 0.1 OUTLIER -67.79 -35.89 79.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.839 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . 0.54 ' HB3' ' NH2' ' B' ' 632' ' ' ARG . 0.7 OUTLIER -67.34 -40.36 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 -179.781 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.681 ' HB3' ' HZ3' ' C' ' 627' ' ' LYS . 0.4 OUTLIER -66.5 -46.09 77.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.669 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.545 ' HA ' ' OE1' ' B' ' 630' ' ' GLN . 0.4 OUTLIER -65.01 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.729 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -61.07 -41.25 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.54 ' NH2' ' HB3' ' B' ' 628' ' ' ASP . 6.3 mtm180 -64.12 -37.68 88.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.983 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.26 -41.64 99.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.025 0.44 . . . . 0.0 111.882 -179.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.443 HG23 HD13 ' A' ' 637' ' ' LEU . 61.5 mt -67.76 -47.61 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.083 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -49.01 66.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.405 -179.434 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -39.96 78.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.459 HD13 HG23 ' C' ' 634' ' ' ILE . 1.0 OUTLIER -62.91 -35.33 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.598 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 637' ' ' LEU . 0.2 OUTLIER -64.84 -40.86 95.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 -179.738 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 2.5 t -68.34 -35.97 78.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.79 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.5 -40.23 89.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.735 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.93 -39.82 86.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.528 -179.363 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.534 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 tp10 -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.233 179.256 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.485 ' HG3' ' HE2' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -65.33 -32.92 74.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.476 ' HE2' ' HG3' ' A' ' 644' ' ' GLU . 18.2 mmtt -65.72 -36.71 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.35 -48.37 73.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -64.95 -40.27 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.16 -179.651 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.434 ' HE ' HE22 ' B' ' 652' ' ' GLN . 9.6 ttp-105 -63.79 -45.26 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -43.57 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.83 78.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.507 ' CD1' ' HG3' ' C' ' 652' ' ' GLN . 13.7 tp -64.09 -44.84 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.507 ' HG3' ' CD1' ' A' ' 651' ' ' LEU . 0.0 OUTLIER -53.56 -41.84 66.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.184 -179.824 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 653' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' B' ' 653' ' ' MET . 0.4 OUTLIER -60.71 -40.7 93.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.337 -179.768 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . 0.47 ' O ' HG13 ' B' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.99 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.551 179.617 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.02 -46.9 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 111.21 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.72 -29.11 69.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.28 -46.51 76.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.4 mt -67.19 -38.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.633 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.09 -41.76 90.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.79 -35.83 80.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.87 76.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.363 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.93 68.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.88 31.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 15.4 m -74.39 -63.66 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' ' 615' ' ' GLN . 1.2 t60 -73.3 -44.58 58.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.36 . . . . 0.0 110.573 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 26.6 mtt -134.85 135.44 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.636 -179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 618' ' ' GLU . 14.6 tt0 -78.49 -8.63 58.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.705 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.93 22.78 6.75 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.832 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.58 ' HA ' ' HB ' ' A' ' 614' ' ' THR . 0.0 OUTLIER 61.1 55.95 3.36 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 179.84 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.452 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 92.4 Cg_endo -86.85 -5.4 7.91 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.589 2.193 . . . . 0.0 112.971 -179.538 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.69 ' HD2' ' HB3' ' A' ' 613' ' ' ARG . 0.1 OUTLIER -122.83 135.65 54.6 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.087 0.47 . . . . 0.0 111.431 -179.807 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 24.0 ttt -105.65 156.11 18.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.571 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 106.21 12.09 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -72.19 -21.69 23.25 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.462 2.108 . . . . 0.0 112.353 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -69.79 124.15 23.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.435 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.79 86.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.47 148.58 24.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 605' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' B' ' 605' ' ' SER . 58.3 m -68.65 -41.05 79.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -65.78 -43.92 87.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.7 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . 0.427 ' HB3' HG11 ' A' ' 609' ' ' VAL . . . -63.32 -32.01 73.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.405 -179.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' B' ' 608' ' ' ALA . 82.9 t -65.73 -35.5 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.554 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.538 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.3 OUTLIER -61.13 -32.56 72.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.073 0.463 . . . . 0.0 111.79 179.605 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.581 ' O ' HG22 ' C' ' 614' ' ' THR . 3.3 mt-10 -65.64 -39.87 91.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.427 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.506 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 2.2 mm? -70.99 -33.91 70.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.681 ' HB3' ' HD2' ' B' ' 598' ' ' LYS . 5.2 mtt180 -59.26 -45.45 91.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.027 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.584 ' HB ' ' HA ' ' B' ' 596' ' ' LYS . 3.4 t -71.06 -37.36 72.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.652 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' B' ' 592' ' ' HIS . 33.0 mt-30 -62.43 -50.73 70.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.484 ' HA ' HD11 ' C' ' 619' ' ' LEU . 30.1 m -63.21 -43.7 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.404 ' N ' HG21 ' C' ' 616' ' ' VAL . 1.5 tpp180 -56.39 -52.16 65.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 10.4 tp10 -64.57 -33.62 76.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.533 ' HB3' HD22 ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.89 -48.28 75.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.986 -179.837 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -61.97 -41.03 97.56 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.862 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.97 -34.52 76.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 50.3 mt -69.0 -45.73 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' C' ' 620' ' ' ARG . 2.0 mt -67.54 -34.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.02 -52.74 54.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.253 -179.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.29 -38.36 90.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.02 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.552 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 4.2 mtt -60.6 -44.14 96.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.681 ' HZ3' ' HB3' ' B' ' 629' ' ' GLN . 0.1 OUTLIER -67.72 -35.98 79.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 -179.87 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . 0.545 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.7 OUTLIER -67.26 -40.36 86.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -179.803 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.694 ' HB3' ' HZ3' ' A' ' 627' ' ' LYS . 0.4 OUTLIER -66.52 -46.14 77.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.774 179.694 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.4 OUTLIER -64.96 -37.93 89.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.001 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 1.8 tttp -61.08 -41.28 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . 0.545 ' NH2' ' HB3' ' C' ' 628' ' ' ASP . 6.3 mtm180 -64.15 -37.66 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.24 -41.67 99.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 0.0 111.909 -179.027 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.459 HG23 HD13 ' B' ' 637' ' ' LEU . 61.5 mt -67.76 -47.6 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.129 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -52.89 -48.99 66.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.442 -179.535 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -39.82 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.995 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.446 HD13 HG23 ' A' ' 634' ' ' ILE . 1.0 OUTLIER -63.04 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.755 179.584 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' B' ' 637' ' ' LEU . 0.2 OUTLIER -64.98 -40.82 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.115 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.29 -36.07 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.45 -40.1 89.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -43.65 86.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.789 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.13 -39.71 87.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.473 -179.323 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.532 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 tp10 -60.71 -41.61 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.173 179.266 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.477 ' HG3' ' HE2' ' A' ' 645' ' ' LYS . 0.3 OUTLIER -65.25 -32.95 74.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.903 179.859 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.485 ' HE2' ' HG3' ' B' ' 644' ' ' GLU . 18.1 mmtt -65.74 -36.71 84.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.3 -48.34 73.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.289 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.532 HG13 ' O ' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -64.94 -40.22 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 121.119 0.485 . . . . 0.0 111.215 -179.674 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.42 ' HE ' HE22 ' C' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.2 90.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.048 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -43.57 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.82 78.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.713 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.502 ' CD1' ' HG3' ' A' ' 652' ' ' GLN . 13.8 tp -64.07 -44.92 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.74 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.507 ' HG3' ' CD1' ' B' ' 651' ' ' LEU . 0.0 OUTLIER -53.51 -41.8 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 -179.796 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 653' ' ' MET . . . . . 0.527 ' HE1' ' HA ' ' C' ' 653' ' ' MET . 0.4 OUTLIER -60.82 -40.64 93.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 -179.71 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . 0.469 ' O ' HG13 ' C' ' 658' ' ' ILE . 32.3 tt0 -67.55 -42.03 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.95 -46.9 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.999 0.428 . . . . 0.0 111.24 -179.578 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.81 -29.09 69.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.23 -46.54 76.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 179.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.469 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.4 mt -67.18 -38.56 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.681 -179.657 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.14 -41.71 90.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.323 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.85 -35.81 80.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.86 76.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.89 68.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.67 -27.82 31.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 15.5 m -74.4 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -48.94 45.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 593' ' ' MET . . . . . 0.442 ' HG3' HE21 ' B' ' 615' ' ' GLN . 24.2 mtt -124.3 118.32 26.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.553 -179.498 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.71 ' HB2' ' HB2' ' B' ' 618' ' ' GLU . 34.4 tt0 -67.73 -43.73 79.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.682 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 149.23 35.79 0.04 OUTLIER Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.769 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.496 ' N ' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER 47.23 53.03 13.23 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 179.859 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 596' ' ' LYS . 91.8 Cg_endo -87.08 -31.42 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.596 2.197 . . . . 0.0 113.069 -179.649 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.557 ' NZ ' ' HD3' ' B' ' 617' ' ' ARG . 1.7 ttmp? -93.0 113.62 25.95 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.035 0.445 . . . . 0.0 111.423 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.401 ' HG3' ' H ' ' A' ' 600' ' ' GLU . 1.1 ttt -90.24 158.44 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.559 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.46 ' HA ' ' CZ ' ' B' ' 613' ' ' ARG . 3.7 pt-20 -91.41 110.51 43.36 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.968 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.77 -20.6 17.29 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.484 2.123 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -73.22 130.08 39.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.425 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.22 87.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.04 0.448 . . . . 0.0 111.323 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.72 144.49 27.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.6 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m -63.87 -34.55 78.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.924 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -63.62 -46.83 83.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.13 76.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.87 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.445 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.409 HG12 HD21 ' C' ' 612' ' ' LEU . 85.0 t -68.8 -38.36 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.553 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.478 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.9 OUTLIER -55.26 -48.84 73.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 179.706 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.65 ' O ' HG22 ' A' ' 614' ' ' THR . 4.0 mt-10 -59.71 -34.03 72.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.625 ' HB3' ' HG ' ' C' ' 612' ' ' LEU . 0.5 OUTLIER -70.26 -32.43 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.129 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 616' ' ' VAL . 4.4 mtt180 -61.85 -46.24 90.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 611' ' ' GLU . 1.5 t -64.6 -32.08 73.58 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.652 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . 0.437 HE21 ' HG3' ' C' ' 593' ' ' MET . 2.0 mm-40 -68.02 -46.43 71.22 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.05 0.453 . . . . 0.0 111.157 -179.438 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 613' ' ' ARG . 5.9 m -64.96 -39.98 87.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.553 ' HD3' ' NZ ' ' C' ' 598' ' ' LYS . 0.1 OUTLIER -62.88 -54.8 33.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.738 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.703 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 9.5 tp10 -58.57 -39.4 80.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 179.735 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.539 HD21 ' HG3' ' B' ' 620' ' ' ARG . 19.1 mt -56.18 -43.38 78.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.604 ' HA ' HD13 ' A' ' 623' ' ' ILE . 3.4 ttm105 -66.5 -32.78 74.35 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.04 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.04 -33.03 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.7 -49.42 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.613 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.715 HG22 ' SD ' ' C' ' 626' ' ' MET . 1.3 mt -61.39 -36.42 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.21 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.357 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.18 87.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.051 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.701 ' SD ' HG22 ' B' ' 623' ' ' ILE . 29.9 mtt -68.87 -35.53 77.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.809 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 3.1 tmtm? -65.28 -37.37 86.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.57 -39.56 67.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.0 OUTLIER -64.74 -41.86 95.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.794 179.684 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -43.84 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . 0.496 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 2.5 mttp -64.76 -34.53 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -62.05 -39.39 92.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.983 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 25.4 mt-10 -72.45 -44.14 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.461 . . . . 0.0 111.904 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.571 HG13 HD12 ' B' ' 634' ' ' ILE . 96.9 mt -58.32 -42.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.079 179.28 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.52 -40.96 98.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.527 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -37.49 80.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' B' ' 638' ' ' LEU . 6.5 mt -68.32 -33.48 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.63 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.615 ' HA ' HD22 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -63.37 -46.8 84.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.729 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -33.35 75.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.492 ' HB3' HD13 ' B' ' 641' ' ' LEU . 13.5 tt0 -66.81 -44.1 82.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' C' ' 640' ' ' GLU . 1.0 OUTLIER -65.97 -32.48 73.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.742 179.579 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.45 -44.84 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.69 -45.87 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.271 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 179.895 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.462 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 17.1 mmtt -64.08 -44.08 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -45.0 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.45 -38.77 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.026 0.441 . . . . 0.0 111.175 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 644' ' ' GLU . 0.0 OUTLIER -65.86 -40.06 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.009 -179.789 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -37.92 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.41 91.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' B' ' 652' ' ' GLN . 9.9 tp -60.9 -40.46 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.543 ' HA ' HD13 ' C' ' 651' ' ' LEU . 0.6 OUTLIER -59.59 -42.13 91.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.122 -179.8 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -45.16 93.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.275 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.04 -42.9 99.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.536 179.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.424 HG22 HD13 ' C' ' 651' ' ' LEU . 16.2 t -65.23 -40.97 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.148 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -60.96 -41.08 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.02 -46.37 81.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.601 HD13 ' HD2' ' B' ' 659' ' ' LYS . 9.1 mt -61.13 -43.88 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.68 -179.689 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.611 ' HD2' HD13 ' C' ' 658' ' ' ILE . 10.1 tttt -67.09 -36.54 82.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -41.19 91.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.761 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.54 90.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.332 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.42 -29.6 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.05 -66.78 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -48.92 43.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.676 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 593' ' ' MET . . . . . 0.441 ' HG2' ' CG2' ' C' ' 614' ' ' THR . 24.2 mtt -124.33 118.37 26.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.549 -179.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.693 ' HB2' ' HB2' ' C' ' 618' ' ' GLU . 34.4 tt0 -67.74 -43.7 79.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.727 -179.752 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 149.29 35.74 0.04 OUTLIER Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.78 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER 47.27 53.1 13.36 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 179.898 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' B' ' 596' ' ' LYS . 92.3 Cg_endo -87.16 -31.38 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.545 2.163 . . . . 0.0 113.062 -179.6 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.548 ' NZ ' ' HD3' ' C' ' 617' ' ' ARG . 1.7 ttmp? -92.96 113.63 25.96 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.043 0.449 . . . . 0.0 111.405 -179.832 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.411 ' HG3' ' H ' ' B' ' 600' ' ' GLU . 1.1 ttt -90.29 158.47 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.542 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.449 ' HA ' ' CZ ' ' C' ' 613' ' ' ARG . 3.7 pt-20 -91.43 110.53 43.57 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.79 -20.62 17.2 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.466 2.111 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -73.29 130.11 39.48 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.387 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.26 87.67 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.299 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.72 144.47 27.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -179.617 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 43.5 m -63.8 -34.61 78.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.58 -46.9 83.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.13 76.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.473 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . 0.407 HG12 HD21 ' A' ' 612' ' ' LEU . 85.7 t -68.76 -38.32 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.69 -179.595 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.464 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.9 OUTLIER -55.18 -48.84 73.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.209 0.528 . . . . 0.0 111.799 179.594 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.656 ' O ' HG22 ' B' ' 614' ' ' THR . 4.0 mt-10 -59.74 -34.08 72.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.433 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.609 ' HB3' ' HG ' ' A' ' 612' ' ' LEU . 0.5 OUTLIER -70.32 -32.35 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.04 -179.715 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.581 ' O ' HG23 ' B' ' 616' ' ' VAL . 4.4 mtt180 -61.92 -46.29 89.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.956 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.656 HG22 ' O ' ' B' ' 611' ' ' GLU . 1.5 t -64.59 -32.14 73.66 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.659 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . 0.442 HE21 ' HG3' ' A' ' 593' ' ' MET . 2.0 mm-40 -67.87 -46.46 71.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -179.522 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 613' ' ' ARG . 6.0 m -64.94 -40.01 87.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.557 ' HD3' ' NZ ' ' A' ' 598' ' ' LYS . 0.1 OUTLIER -62.86 -54.82 32.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.296 -179.745 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 9.4 tp10 -58.5 -39.43 80.04 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.533 HD21 ' HG3' ' C' ' 620' ' ' ARG . 19.1 mt -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.007 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.604 ' HA ' HD13 ' B' ' 623' ' ' ILE . 3.4 ttm105 -66.6 -32.81 74.38 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.06 -33.02 65.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.67 -49.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.643 -179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.701 HG22 ' SD ' ' A' ' 626' ' ' MET . 1.3 mt -61.38 -36.38 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.238 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.79 -45.0 79.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -179.418 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -42.13 86.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.028 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.712 ' SD ' HG22 ' C' ' 623' ' ' ILE . 29.9 mtt -68.95 -35.45 76.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 3.1 tmtm? -65.3 -37.37 86.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.59 -39.62 67.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.057 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.0 OUTLIER -64.67 -41.95 95.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.794 179.702 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.45 -44.08 83.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . 0.49 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 2.5 mttp -64.61 -34.59 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -62.03 -39.3 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.013 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 25.5 mt-10 -72.6 -44.11 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 111.852 -178.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.571 HD12 HG13 ' A' ' 634' ' ' ILE . 97.0 mt -58.24 -42.36 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.13 179.195 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.476 -179.595 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -37.56 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.965 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' C' ' 638' ' ' LEU . 6.4 mt -68.31 -33.56 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 179.69 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.613 ' HA ' HD22 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -63.25 -46.84 84.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.119 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.485 ' HB3' HD13 ' C' ' 641' ' ' LEU . 13.6 tt0 -66.82 -44.14 81.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 640' ' ' GLU . 1.0 OUTLIER -65.89 -32.51 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.774 179.534 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 -44.79 77.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.559 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.82 -45.8 93.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.254 179.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -66.17 -32.31 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.946 179.83 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.451 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 17.1 mmtt -64.04 -44.11 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.88 -44.9 88.16 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.273 -179.662 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.45 -38.74 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.021 0.438 . . . . 0.0 111.243 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' B' ' 644' ' ' GLU . 0.0 OUTLIER -65.82 -40.04 91.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.088 -179.862 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.82 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.65 -39.47 91.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.632 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.538 HD13 ' HA ' ' C' ' 652' ' ' GLN . 9.9 tp -60.89 -40.5 93.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 651' ' ' LEU . 0.6 OUTLIER -59.51 -42.15 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.167 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -45.13 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.01 -42.93 99.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.421 HG22 HD13 ' A' ' 651' ' ' LEU . 16.2 t -65.22 -40.97 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 -179.454 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -60.97 -41.18 95.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.86 -46.44 81.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.6 HD13 ' HD2' ' C' ' 659' ' ' LYS . 9.1 mt -61.11 -43.89 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.655 -179.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.601 ' HD2' HD13 ' A' ' 658' ' ' ILE . 10.1 tttt -67.11 -36.58 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -41.15 91.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.59 90.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.308 -179.764 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -29.64 69.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.58 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.06 -66.75 0.57 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.68 -48.93 44.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.893 0.377 . . . . 0.0 110.697 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 593' ' ' MET . . . . . 0.437 ' HG3' HE21 ' A' ' 615' ' ' GLN . 24.4 mtt -124.26 118.31 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.588 -179.579 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.703 ' HB2' ' HB2' ' A' ' 618' ' ' GLU . 34.4 tt0 -67.72 -43.7 79.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.735 -179.761 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 149.25 35.8 0.04 OUTLIER Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.695 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.49 ' N ' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER 47.25 53.05 13.28 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 110.58 -0.156 . . . . 0.0 110.58 179.824 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' C' ' 596' ' ' LYS . 91.3 Cg_endo -87.12 -31.41 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.595 2.197 . . . . 0.0 113.042 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.553 ' NZ ' ' HD3' ' A' ' 617' ' ' ARG . 1.7 ttmp? -93.01 113.63 25.96 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.057 0.456 . . . . 0.0 111.447 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.4 ' HG3' ' H ' ' C' ' 600' ' ' GLU . 1.1 ttt -90.22 158.42 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 3.7 pt-20 -91.43 110.55 43.7 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.963 179.876 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.72 -20.69 17.32 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.486 2.124 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -73.18 130.09 39.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.398 -179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.24 87.47 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.327 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.68 144.44 27.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m -63.77 -34.63 78.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.56 -46.83 84.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.22 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.8 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.64 76.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.497 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . 0.409 HG12 HD21 ' B' ' 612' ' ' LEU . 86.2 t -68.74 -38.36 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . 0.479 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.9 OUTLIER -55.17 -48.94 73.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.13 0.491 . . . . 0.0 111.752 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.651 ' O ' HG22 ' C' ' 614' ' ' THR . 4.0 mt-10 -59.64 -34.15 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.625 ' HG ' ' HB3' ' A' ' 612' ' ' LEU . 0.5 OUTLIER -70.25 -32.4 70.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 111.106 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.585 ' O ' HG23 ' C' ' 616' ' ' VAL . 4.4 mtt180 -61.8 -46.26 90.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.031 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.651 HG22 ' O ' ' C' ' 611' ' ' GLU . 1.5 t -64.69 -32.09 73.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.569 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . 0.434 HE21 ' HG3' ' B' ' 593' ' ' MET . 2.0 mm-40 -67.94 -46.55 71.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 111.104 -179.44 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . 0.585 HG23 ' O ' ' C' ' 613' ' ' ARG . 6.0 m -64.84 -40.04 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . 0.548 ' HD3' ' NZ ' ' B' ' 598' ' ' LYS . 0.1 OUTLIER -62.87 -54.82 32.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.345 -179.759 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.693 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 9.4 tp10 -58.54 -39.39 80.05 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.538 HD21 ' HG3' ' A' ' 620' ' ' ARG . 19.1 mt -56.14 -43.48 78.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.613 ' HA ' HD13 ' C' ' 623' ' ' ILE . 3.4 ttm105 -66.51 -32.75 74.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.3 m -73.07 -33.03 65.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.609 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.7 -49.44 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.712 HG22 ' SD ' ' B' ' 626' ' ' MET . 1.3 mt -61.44 -36.39 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.163 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.83 -45.0 79.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.22 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.17 87.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.019 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.715 ' SD ' HG22 ' A' ' 623' ' ' ILE . 29.9 mtt -68.91 -35.51 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.508 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 3.1 tmtm? -65.21 -37.39 87.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.63 -39.57 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.0 OUTLIER -64.72 -41.94 95.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.808 179.71 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.401 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -66.51 -43.98 83.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . 0.485 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 2.5 mttp -64.75 -34.56 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -62.07 -39.3 91.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 25.4 mt-10 -72.56 -44.04 62.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 111.926 -179.037 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.562 HG13 HD12 ' A' ' 634' ' ' ILE . 97.0 mt -58.32 -42.42 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.103 179.201 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -40.95 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.465 -179.552 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.57 80.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.615 HD22 ' HA ' ' A' ' 638' ' ' LEU . 6.5 mt -68.23 -33.53 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.593 ' HA ' HD22 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -63.38 -46.76 84.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.148 -179.693 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -33.33 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.487 ' HB3' HD13 ' A' ' 641' ' ' LEU . 13.5 tt0 -66.9 -44.14 81.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.992 0.425 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' B' ' 640' ' ' GLU . 1.0 OUTLIER -65.93 -32.42 73.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.759 179.573 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.54 -44.78 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.503 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.79 -45.81 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 179.274 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -66.2 -32.38 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.851 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.456 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 17.1 mmtt -64.01 -44.09 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.86 -44.94 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 -179.656 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.47 -38.8 77.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.043 0.449 . . . . 0.0 111.229 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' C' ' 644' ' ' GLU . 0.0 OUTLIER -65.79 -40.01 91.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.037 -179.808 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -37.92 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.39 91.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.672 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 652' ' ' GLN . 9.9 tp -60.87 -40.53 93.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.538 ' HA ' HD13 ' B' ' 651' ' ' LEU . 0.6 OUTLIER -59.52 -42.11 91.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.211 -179.809 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.336 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -62.11 -42.94 99.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.527 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.439 HG22 HD13 ' B' ' 651' ' ' LEU . 16.0 t -65.09 -41.06 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -61.0 -41.04 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.03 -46.34 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 179.585 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.611 HD13 ' HD2' ' A' ' 659' ' ' LYS . 9.1 mt -61.17 -43.9 97.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.656 -179.647 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.6 ' HD2' HD13 ' B' ' 658' ' ' ILE . 10.0 tttt -67.03 -36.55 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -41.24 91.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.57 90.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.304 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -29.75 69.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.55 37.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.02 -66.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -82.18 -47.86 11.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.591 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 3.2 mtt -120.2 146.32 46.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.563 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 594' ' ' GLU . . . . . 0.713 ' HB2' ' HB2' ' B' ' 618' ' ' GLU . 27.2 tt0 -101.29 -15.0 17.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.766 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 120.27 33.38 1.04 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.757 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 596' ' ' LYS . . . . . 0.598 ' HA ' ' HB ' ' B' ' 614' ' ' THR . 0.0 OUTLIER 55.76 57.77 10.06 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.626 -0.139 . . . . 0.0 110.626 179.816 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.488 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 92.9 Cg_endo -86.95 -15.43 3.81 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.553 2.169 . . . . 0.0 113.026 -179.538 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 598' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -107.57 152.32 24.43 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.09 0.471 . . . . 0.0 111.401 -179.855 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.429 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 0.7 OUTLIER -131.43 150.64 52.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.566 179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.515 ' HA ' ' CZ ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -83.35 107.87 11.27 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.98 179.897 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 599' ' ' MET . 66.4 Cg_endo -72.33 -21.74 22.71 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.452 2.101 . . . . 0.0 112.375 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -81.3 135.01 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.367 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -69.23 -44.92 71.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.338 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 3.2 p -78.47 141.02 38.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m -65.3 -35.17 80.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.949 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.05 -44.13 85.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.47 81.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.65 -33.95 77.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.21 -33.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.653 -179.561 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -38.46 82.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.151 0.5 . . . . 0.0 111.758 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 611' ' ' GLU . . . . . 0.711 ' O ' HG22 ' A' ' 614' ' ' THR . 1.6 mt-10 -64.75 -38.9 92.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 612' ' ' LEU . . . . . 0.633 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.7 -40.6 84.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.118 -179.8 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.513 ' CZ ' ' HA ' ' C' ' 600' ' ' GLU . 6.8 mtt180 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.026 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 611' ' ' GLU . 7.0 t -70.42 -25.78 63.37 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.613 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.84 -47.1 63.99 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.977 0.417 . . . . 0.0 111.192 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.82 -39.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.69 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.324 -179.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.711 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 3.9 tp10 -63.37 -33.5 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 622' ' ' ILE . 2.4 mt -61.38 -45.97 92.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . 0.609 ' HG3' HD22 ' C' ' 619' ' ' LEU . 1.3 mtm105 -61.19 -37.5 83.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 39.1 m -66.03 -35.05 79.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.64 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 619' ' ' LEU . 26.6 mt -60.98 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.63 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 623' ' ' ILE . . . . . 0.532 HD11 HG12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.94 -33.31 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.236 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.11 -44.22 84.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -42.42 74.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.014 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.451 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 14.9 mtt -62.7 -40.63 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.445 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 1.4 tmtm? -67.56 -37.85 83.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.02 -39.21 83.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.72 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 630' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -67.59 -32.88 73.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.951 -179.772 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.22 -41.29 81.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.18 -40.07 93.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.001 179.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.85 -42.09 95.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.038 0.447 . . . . 0.0 111.855 -179.059 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.512 HG22 HD13 ' C' ' 637' ' ' LEU . 98.1 mt -65.37 -42.14 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.062 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.465 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.8 76.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 637' ' ' LEU . . . . . 0.562 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.2 OUTLIER -63.34 -44.58 94.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.558 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 1.3 mt -61.64 -36.69 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.731 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -41.92 98.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.796 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . 0.437 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.5 tt0 -65.16 -45.03 86.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.845 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -40.86 90.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.799 179.576 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.4 -38.66 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.504 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 643' ' ' GLU . . . . . 0.44 ' HG3' HD12 ' A' ' 647' ' ' ILE . 13.4 tp10 -64.89 -47.99 75.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 644' ' ' GLU . . . . . 0.701 ' HA ' HD13 ' A' ' 647' ' ' ILE . 4.3 tt0 -62.54 -35.39 79.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.42 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 15.0 mmtt -59.69 -49.21 78.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.758 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -44.76 95.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 644' ' ' GLU . 3.9 mt -64.16 -40.95 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 111.179 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 0.0 OUTLIER -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.745 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -40.46 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.7 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.76 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.723 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.7 HD22 ' HG ' ' B' ' 651' ' ' LEU . 11.6 tp -65.28 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD13 ' C' ' 651' ' ' LEU . 0.4 OUTLIER -62.83 -38.03 89.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 653' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 653' ' ' MET . 0.4 OUTLIER -59.99 -42.43 94.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.763 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.13 85.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.494 HG21 HG23 ' B' ' 655' ' ' VAL . 78.7 t -62.58 -44.54 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.24 -179.548 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.91 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.79 83.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.725 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . 0.612 HG23 HG23 ' C' ' 658' ' ' ILE . 17.1 mt -65.47 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.632 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.629 ' HG2' ' NE2' ' A' ' 663' ' ' GLN . 10.6 tttm -64.19 -44.2 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.767 0.318 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.755 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.99 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.308 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.44 HD11 HG21 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -69.48 -28.49 66.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.592 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . 0.629 ' NE2' ' HG2' ' A' ' 659' ' ' LYS . 13.9 mt-30 -80.11 -33.29 38.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -39.7 80.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.033 -179.999 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.591 -0.204 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -82.13 -47.9 11.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.954 0.406 . . . . 0.0 110.653 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 3.2 mtt -120.16 146.32 46.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.567 -179.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 594' ' ' GLU . . . . . 0.729 ' HB2' ' HB2' ' C' ' 618' ' ' GLU . 27.2 tt0 -101.3 -15.04 17.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.735 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 120.26 33.38 1.04 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.728 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 596' ' ' LYS . . . . . 0.612 ' HA ' ' HB ' ' C' ' 614' ' ' THR . 0.0 OUTLIER 55.76 57.77 10.05 Favored Pre-proline 0 CA--C 1.532 0.252 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 179.783 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 597' ' ' PRO . . . . . 0.479 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.3 Cg_endo -86.95 -15.4 3.81 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.569 2.18 . . . . 0.0 112.996 -179.553 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 598' ' ' LYS . . . . . 0.478 ' HB3' ' HB3' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -107.58 152.23 24.55 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.056 0.455 . . . . 0.0 111.431 -179.832 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.434 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 0.7 OUTLIER -131.34 150.61 52.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.59 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 600' ' ' GLU . . . . . 0.506 ' HA ' ' CZ ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -83.39 107.87 11.3 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.92 179.899 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' B' ' 599' ' ' MET . 67.0 Cg_endo -72.24 -21.85 22.88 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.47 2.113 . . . . 0.0 112.427 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -81.26 134.99 35.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.448 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -69.16 -44.99 71.13 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.311 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 3.2 p -78.46 140.96 38.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m -65.23 -35.2 80.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.924 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -65.96 -44.21 85.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.49 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.91 77.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.407 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 44.6 t -67.24 -33.17 61.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -38.37 82.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 111.8 179.62 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 611' ' ' GLU . . . . . 0.717 ' O ' HG22 ' B' ' 614' ' ' THR . 1.6 mt-10 -64.79 -38.9 92.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.438 179.427 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 612' ' ' LEU . . . . . 0.638 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 0.9 OUTLIER -67.77 -40.61 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.091 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 600' ' ' GLU . 6.8 mtt180 -54.64 -46.63 73.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 614' ' ' THR . . . . . 0.717 HG22 ' O ' ' B' ' 611' ' ' GLU . 6.9 t -70.46 -25.78 63.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.607 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.8 -47.19 63.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 111.144 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.81 -39.91 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -58.71 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.33 -179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 618' ' ' GLU . . . . . 0.713 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 3.9 tp10 -63.28 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.982 179.631 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 619' ' ' LEU . . . . . 0.721 ' HA ' HD12 ' B' ' 622' ' ' ILE . 2.4 mt -61.43 -45.9 92.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.723 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 620' ' ' ARG . . . . . 0.607 ' HG3' HD22 ' A' ' 619' ' ' LEU . 1.3 mtm105 -61.29 -37.43 83.15 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.13 -34.99 79.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 622' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 619' ' ' LEU . 26.5 mt -60.95 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.654 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 623' ' ' ILE . . . . . 0.525 HD11 HG12 ' A' ' 623' ' ' ILE . 1.0 OUTLIER -63.97 -33.28 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.194 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.15 -44.26 84.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.262 -179.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -42.46 74.31 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.007 179.779 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 626' ' ' MET . . . . . 0.451 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 15.0 mtt -62.7 -40.62 97.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.796 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 627' ' ' LYS . . . . . 0.451 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 1.4 tmtm? -67.48 -37.87 83.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.063 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -67.94 -39.3 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -42.68 85.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 630' ' ' GLN . . . . . 0.418 ' O ' HG13 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -67.63 -32.87 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.755 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.27 -41.24 81.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.2 -40.05 93.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.988 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.92 -42.06 95.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.054 0.454 . . . . 0.0 111.859 -178.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 634' ' ' ILE . . . . . 0.502 HG22 HD13 ' A' ' 637' ' ' LEU . 97.9 mt -65.36 -42.13 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.9 91.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.448 -179.525 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.77 76.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.957 179.803 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 637' ' ' LEU . . . . . 0.555 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.2 OUTLIER -63.28 -44.57 94.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.753 179.596 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 638' ' ' LEU . . . . . 0.562 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 1.3 mt -61.74 -36.55 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -41.97 98.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 640' ' ' GLU . . . . . 0.424 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.5 tt0 -65.07 -45.09 86.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -40.86 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.787 179.591 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.45 -38.59 90.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.468 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 643' ' ' GLU . . . . . 0.452 ' HG3' HD12 ' B' ' 647' ' ' ILE . 13.4 tp10 -64.88 -48.04 75.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.251 179.24 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 644' ' ' GLU . . . . . 0.694 ' HA ' HD13 ' B' ' 647' ' ' ILE . 4.3 tt0 -62.42 -35.52 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 645' ' ' LYS . . . . . 0.437 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 15.0 mmtt -59.61 -49.3 78.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -44.8 94.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 647' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' B' ' 644' ' ' GLU . 3.9 mt -64.18 -40.98 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.039 0.447 . . . . 0.0 111.189 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 648' ' ' ARG . . . . . 0.572 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.0 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.68 -35.8 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . 0.7 ' HG ' HD22 ' A' ' 651' ' ' LEU . 11.7 tp -65.23 -38.67 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.745 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 652' ' ' GLN . . . . . 0.609 ' HA ' HD13 ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.7 -38.18 89.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.144 -179.818 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 653' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' B' ' 653' ' ' MET . 0.4 OUTLIER -59.86 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 111.282 -179.684 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.0 85.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.527 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 655' ' ' VAL . . . . . 0.494 HG23 HG21 ' A' ' 655' ' ' VAL . 82.0 t -62.66 -44.6 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.53 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.77 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.34 -45.7 83.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.674 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 658' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 658' ' ' ILE . 17.3 mt -65.54 -39.12 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.609 -179.631 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 659' ' ' LYS . . . . . 0.626 ' HG2' ' NE2' ' B' ' 663' ' ' GLN . 10.6 tttm -64.17 -44.24 92.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -48.44 81.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.87 76.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . 0.437 HD11 HG21 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.525 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 663' ' ' GLN . . . . . 0.626 ' NE2' ' HG2' ' B' ' 659' ' ' LYS . 14.1 mt-30 -80.06 -33.32 39.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -39.62 80.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.194 -0.907 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -82.19 -47.9 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 3.2 mtt -120.21 146.32 46.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.552 -179.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 594' ' ' GLU . . . . . 0.711 ' HB2' ' HB2' ' A' ' 618' ' ' GLU . 27.2 tt0 -101.28 -15.05 17.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.745 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 120.29 33.23 1.05 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.751 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . 0.606 ' HA ' ' HB ' ' A' ' 614' ' ' THR . 0.0 OUTLIER 55.88 57.76 9.88 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 179.789 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 597' ' ' PRO . . . . . 0.489 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 92.3 Cg_endo -86.91 -15.47 3.83 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.571 2.18 . . . . 0.0 113.008 -179.596 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 598' ' ' LYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -107.55 152.24 24.52 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.077 0.465 . . . . 0.0 111.441 -179.85 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 599' ' ' MET . . . . . 0.421 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 0.7 OUTLIER -131.4 150.64 52.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.567 179.92 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 600' ' ' GLU . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -83.3 107.83 11.05 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.005 179.918 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 601' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' C' ' 599' ' ' MET . 67.0 Cg_endo -72.24 -21.83 22.92 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.479 2.119 . . . . 0.0 112.37 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -81.33 135.05 35.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.396 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.03 71.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 3.3 p -78.44 141.05 38.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -179.646 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m -65.39 -35.1 79.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.972 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -65.97 -44.15 85.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.48 81.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.9 77.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.438 -179.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 44.6 t -67.24 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.629 -179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -38.37 82.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 111.782 179.637 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . 0.716 ' O ' HG22 ' C' ' 614' ' ' THR . 1.6 mt-10 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.424 179.454 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . 0.638 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.76 -40.63 84.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.078 -179.759 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 613' ' ' ARG . . . . . 0.506 ' CZ ' ' HA ' ' B' ' 600' ' ' GLU . 6.8 mtt180 -54.58 -46.73 73.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 614' ' ' THR . . . . . 0.716 HG22 ' O ' ' C' ' 611' ' ' GLU . 7.0 t -70.33 -25.86 63.5 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.81 -47.1 64.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.208 -179.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.92 -39.79 86.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.73 -52.88 63.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.393 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 618' ' ' GLU . . . . . 0.729 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 3.9 tp10 -63.35 -33.53 75.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.009 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 619' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' C' ' 622' ' ' ILE . 2.3 mt -61.45 -45.89 92.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 620' ' ' ARG . . . . . 0.601 ' HG3' HD22 ' B' ' 619' ' ' LEU . 1.4 mtm105 -61.3 -37.33 82.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.22 -34.99 79.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.618 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 622' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' C' ' 619' ' ' LEU . 26.4 mt -60.93 -47.85 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.664 -179.726 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 623' ' ' ILE . . . . . 0.532 HG12 HD11 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -63.94 -33.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.03 -44.33 84.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.288 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -42.46 74.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.939 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 626' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 14.9 mtt -62.64 -40.69 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.809 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 627' ' ' LYS . . . . . 0.451 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 1.4 tmtm? -67.5 -37.85 83.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.0 -39.18 83.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.022 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.73 85.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.784 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 630' ' ' GLN . . . . . 0.423 ' O ' HG13 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -67.6 -32.9 73.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.746 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -68.2 -41.28 81.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.953 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.93 -42.08 94.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.097 0.475 . . . . 0.0 111.871 -178.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 634' ' ' ILE . . . . . 0.505 HG22 HD13 ' B' ' 637' ' ' LEU . 97.9 mt -65.37 -42.13 92.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.073 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 635' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -62.42 -45.92 90.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.441 -179.527 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -36.84 76.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 637' ' ' LEU . . . . . 0.558 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.2 OUTLIER -63.19 -44.65 94.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.802 179.582 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 638' ' ' LEU . . . . . 0.555 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 1.3 mt -61.67 -36.64 81.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.694 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.747 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 640' ' ' GLU . . . . . 0.42 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 31.4 tt0 -65.05 -45.08 86.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.069 0.461 . . . . 0.0 110.926 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -40.83 90.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.805 179.529 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.47 -38.59 90.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.512 -179.382 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 643' ' ' GLU . . . . . 0.447 ' HG3' HD12 ' C' ' 647' ' ' ILE . 13.4 tp10 -64.87 -48.1 75.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.22 179.252 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 644' ' ' GLU . . . . . 0.719 ' HA ' HD13 ' C' ' 647' ' ' ILE . 4.4 tt0 -62.44 -35.47 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.789 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 645' ' ' LYS . . . . . 0.424 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 15.0 mmtt -59.64 -49.3 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -44.86 94.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 647' ' ' ILE . . . . . 0.719 HD13 ' HA ' ' C' ' 644' ' ' GLU . 3.9 mt -64.21 -40.88 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.034 0.445 . . . . 0.0 111.225 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 648' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.0 OUTLIER -62.5 -42.4 99.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.041 -179.867 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -40.44 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.79 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.711 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.689 HD22 ' HG ' ' A' ' 651' ' ' LEU . 11.7 tp -65.23 -38.71 91.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 652' ' ' GLN . . . . . 0.635 ' HA ' HD13 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -62.69 -38.14 89.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.231 -179.868 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 653' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' C' ' 653' ' ' MET . 0.4 OUTLIER -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.279 -179.779 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.01 85.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.561 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . 0.488 HG23 HG21 ' B' ' 655' ' ' VAL . 80.9 t -62.63 -44.55 99.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.558 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.88 -34.8 78.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.78 83.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 658' ' ' ILE . . . . . 0.612 HG23 HG23 ' A' ' 658' ' ' ILE . 17.2 mt -65.48 -39.09 84.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.678 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 659' ' ' LYS . . . . . 0.627 ' HG2' ' NE2' ' C' ' 663' ' ' GLN . 10.6 tttm -64.26 -44.18 92.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -48.56 80.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.92 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 662' ' ' LEU . . . . . 0.445 HD11 HG21 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -69.55 -28.43 65.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.593 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 663' ' ' GLN . . . . . 0.627 ' NE2' ' HG2' ' C' ' 659' ' ' LYS . 13.9 mt-30 -80.12 -33.25 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.57 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.062 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 609' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.746 0.307 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 606' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 609' ' ' VAL . 12.0 pt20 -72.36 -37.59 68.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.66 -37.56 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.818 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.48 91.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.422 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 605' ' ' SER . 2.6 m -67.5 -39.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.16 -37.57 85.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 111.756 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.503 ' HB2' HH22 ' B' ' 613' ' ' ARG . 2.5 mt-10 -72.68 -39.52 67.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' B' ' 613' ' ' ARG . 0.6 OUTLIER -67.84 -35.21 78.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.101 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.678 ' O ' ' HD2' ' A' ' 617' ' ' ARG . 2.9 mtt-85 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.025 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.43 -42.24 98.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.645 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -65.97 -37.37 85.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 619' ' ' LEU . 1.0 OUTLIER -61.23 -45.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.678 ' HD2' ' O ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.69 -39.97 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.336 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.8 tp10 -60.06 -34.45 73.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 622' ' ' ILE . 10.7 mt -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.99 -36.32 76.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.41 -36.08 76.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.758 HG22 HG21 ' B' ' 623' ' ' ILE . 54.2 mt -64.28 -43.02 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.623 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.726 HG21 HG22 ' C' ' 622' ' ' ILE . 16.4 mt -64.88 -41.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.33 71.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.238 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.2 m -62.21 -40.87 97.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.497 ' O ' ' HD3' ' A' ' 631' ' ' LYS . 39.0 tttp -65.0 -37.57 88.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -41.54 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.4 -46.82 84.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.575 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.0 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 -179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.662 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 0.3 OUTLIER -65.15 -37.89 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.79 -47.53 84.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.964 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.588 ' HB3' HG21 ' B' ' 634' ' ' ILE . 8.1 mm-40 -60.17 -37.27 79.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.052 0.453 . . . . 0.0 111.872 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' C' ' 633' ' ' GLU . 11.4 mt -63.9 -40.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.069 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.662 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 1.1 mpmm? -63.1 -42.98 99.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.26 90.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.16 -44.2 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' C' ' 637' ' ' LEU . 11.9 mt -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.29 -40.12 93.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.8 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.77 -42.57 95.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.985 0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.408 ' HG ' HD11 ' B' ' 641' ' ' LEU . 0.3 OUTLIER -64.57 -33.29 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.788 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 642' ' ' ASP . . . . . 0.589 ' O ' ' HD2' ' A' ' 646' ' ' LYS . 14.3 m-20 -65.66 -49.13 69.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.565 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 646' ' ' LYS . 3.3 mm-40 -63.36 -37.2 86.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.212 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -41.11 97.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 641' ' ' LEU . 4.2 mtpt -64.51 -34.18 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.589 ' HD2' ' O ' ' A' ' 642' ' ' ASP . 2.6 mttt -61.74 -41.65 97.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.401 ' HA ' ' HE ' ' A' ' 650' ' ' ARG . 9.8 mt -69.28 -42.13 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.151 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 2.1 ttp-105 -61.19 -42.67 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 21.8 mt -59.12 -41.01 87.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 20.3 mtm180 -66.09 -37.57 86.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.844 HD22 ' HG2' ' B' ' 652' ' ' GLN . 26.9 tp -66.76 -36.94 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.844 ' HG2' HD22 ' C' ' 651' ' ' LEU . 3.6 mt-30 -62.06 -40.56 96.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 15.9 mtt -66.45 -38.69 87.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.267 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.74 -41.74 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.95 -33.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 111.247 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 48.5 m-20 -59.86 -38.55 82.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.51 -41.48 79.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.768 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.459 ' CG1' ' HE3' ' B' ' 659' ' ' LYS . 93.7 mt -67.08 -36.55 77.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.64 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.451 ' HE3' ' CG1' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -65.94 -40.85 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.749 0.309 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 3.9 mtpt -55.77 -51.22 68.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.925 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.5 72.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.306 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.2 OUTLIER -66.17 -29.23 69.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.492 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.96 -22.18 23.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.49 ' O ' HG22 ' B' ' 609' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.794 0.331 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 606' ' ' GLN . . . . . 0.419 ' O ' HG23 ' B' ' 609' ' ' VAL . 12.1 pt20 -72.29 -37.75 68.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.45 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.45 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 605' ' ' SER . 2.6 m -67.54 -39.9 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.21 -37.58 85.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.103 0.478 . . . . 0.0 111.725 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.5 ' HB2' HH22 ' C' ' 613' ' ' ARG . 2.5 mt-10 -72.65 -39.51 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.94 -35.09 77.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.078 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.681 ' O ' ' HD2' ' B' ' 617' ' ' ARG . 2.9 mtt-85 -62.25 -41.09 98.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.8 m -61.49 -42.22 98.46 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.664 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.01 -37.35 85.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.156 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.661 ' HA ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -61.16 -45.65 98.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.681 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -67.72 -39.88 84.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.325 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.8 tp10 -60.13 -34.45 73.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' B' ' 616' ' ' VAL . 10.6 mt -65.98 -44.33 85.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.91 -36.25 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.0 p -69.43 -36.06 76.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.75 HG22 HG21 ' C' ' 623' ' ' ILE . 54.0 mt -64.4 -42.95 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.644 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.758 HG21 HG22 ' A' ' 622' ' ' ILE . 16.4 mt -64.91 -41.16 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -50.35 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.3 m -62.25 -40.76 97.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.6 90.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.492 ' O ' ' HD3' ' B' ' 631' ' ' LYS . 39.1 tttp -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -41.47 81.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.49 -46.77 84.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -65.04 -37.76 88.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.0 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.653 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 0.3 OUTLIER -65.18 -37.86 88.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.77 -47.51 84.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.958 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' C' ' 634' ' ' ILE . 8.1 mm-40 -60.11 -37.37 79.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.126 0.488 . . . . 0.0 111.888 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' A' ' 633' ' ' GLU . 11.4 mt -63.85 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.119 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.653 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -43.01 99.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.442 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -38.26 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' C' ' 637' ' ' LEU . 0.8 OUTLIER -64.13 -44.25 92.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.402 ' CD2' ' HG ' ' A' ' 637' ' ' LEU . 11.8 mt -65.55 -36.04 82.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.27 -40.11 93.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.801 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.73 -42.55 95.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.414 ' HG ' HD11 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -64.6 -33.3 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.751 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 642' ' ' ASP . . . . . 0.585 ' O ' ' HD2' ' B' ' 646' ' ' LYS . 14.3 m-20 -65.71 -49.19 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.463 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.524 ' HA ' ' HD2' ' B' ' 646' ' ' LYS . 3.3 mm-40 -63.28 -37.25 86.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.238 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -41.06 97.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' B' ' 641' ' ' LEU . 4.2 mtpt -64.55 -34.13 77.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.585 ' HD2' ' O ' ' B' ' 642' ' ' ASP . 2.6 mttt -61.67 -41.79 98.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.272 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.13 -42.19 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 111.219 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 2.2 ttp-105 -61.18 -42.71 99.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.97 -41.06 86.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 20.3 mtm180 -66.15 -37.55 85.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.843 HD22 ' HG2' ' C' ' 652' ' ' GLN . 26.7 tp -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.844 ' HG2' HD22 ' A' ' 651' ' ' LEU . 3.5 mt-30 -62.13 -40.58 96.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.157 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.41 -38.65 87.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 111.291 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.78 -41.67 98.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.99 -33.87 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 111.203 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 656' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 49.1 m-20 -59.81 -38.54 82.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.56 -41.38 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.449 ' CG1' ' HE3' ' C' ' 659' ' ' LYS . 93.4 mt -67.09 -36.6 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.676 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.459 ' HE3' ' CG1' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -65.89 -40.88 91.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.049 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 660' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 3.9 mtpt -55.79 -51.2 68.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.59 72.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 662' ' ' LEU . 0.2 OUTLIER -66.14 -29.23 69.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.491 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.94 -22.23 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.498 ' O ' HG22 ' C' ' 609' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 606' ' ' GLN . . . . . 0.419 ' O ' HG23 ' C' ' 609' ' ' VAL . 12.1 pt20 -72.29 -37.62 68.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.48 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.55 91.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.463 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.498 HG22 ' O ' ' C' ' 605' ' ' SER . 2.6 m -67.44 -39.94 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.614 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.08 -37.69 85.98 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.182 0.515 . . . . 0.0 111.788 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.508 ' HB2' HH22 ' A' ' 613' ' ' ARG . 2.5 mt-10 -72.6 -39.49 67.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.9 -35.17 78.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.084 -179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.684 ' O ' ' HD2' ' C' ' 617' ' ' ARG . 3.0 mtt-85 -62.12 -41.13 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.51 -42.24 98.51 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.633 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -65.92 -37.46 86.12 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 111.131 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' C' ' 619' ' ' LEU . 1.0 OUTLIER -61.12 -45.59 98.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.684 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.73 -39.94 84.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.334 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.437 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.8 tp10 -59.98 -34.51 73.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.7 mt -66.05 -44.26 85.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 620' ' ' ARG . 6.1 ttm105 -59.9 -36.3 76.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.42 -36.07 76.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.726 HG22 HG21 ' A' ' 623' ' ' ILE . 53.8 mt -64.37 -42.99 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.585 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.75 HG21 HG22 ' B' ' 622' ' ' ILE . 16.6 mt -64.89 -41.17 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.204 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -50.35 71.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.244 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.2 m -62.24 -40.82 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.017 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.56 89.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.491 ' O ' ' HD3' ' C' ' 631' ' ' LYS . 39.0 tttp -64.97 -37.46 87.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -41.46 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.51 -46.78 84.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.575 ' HG2' ' HB3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.95 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.666 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 0.3 OUTLIER -65.1 -37.96 89.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.76 -47.45 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.013 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.583 ' HB3' HG21 ' A' ' 634' ' ' ILE . 8.1 mm-40 -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.074 0.464 . . . . 0.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.595 HG21 ' HB3' ' B' ' 633' ' ' GLU . 11.4 mt -63.8 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.09 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.666 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -42.94 99.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.479 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.2 90.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.946 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.2 -44.24 92.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.401 ' CD2' ' HG ' ' B' ' 637' ' ' LEU . 11.8 mt -65.55 -36.1 82.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.22 -40.08 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.81 -42.61 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.006 0.432 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -64.51 -33.31 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.777 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 642' ' ' ASP . . . . . 0.595 ' O ' ' HD2' ' C' ' 646' ' ' LYS . 14.3 m-20 -65.7 -49.13 69.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.543 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.511 ' HA ' ' HD2' ' C' ' 646' ' ' LYS . 3.3 mm-40 -63.31 -37.26 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.216 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.07 97.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' C' ' 641' ' ' LEU . 4.2 mtpt -64.6 -34.14 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.595 ' HD2' ' O ' ' C' ' 642' ' ' ASP . 2.6 mttt -61.77 -41.64 97.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.403 ' HA ' ' HE ' ' C' ' 650' ' ' ARG . 9.5 mt -69.16 -42.15 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.089 0.471 . . . . 0.0 111.209 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 2.2 ttp-105 -61.28 -42.63 98.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.08 -41.03 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.743 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 20.3 mtm180 -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.737 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.844 HD22 ' HG2' ' A' ' 652' ' ' GLN . 26.6 tp -66.75 -36.92 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.799 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.843 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.5 mt-30 -62.17 -40.43 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.184 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.55 -38.61 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.272 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.72 -41.71 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.0 -33.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.955 0.407 . . . . 0.0 111.175 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -59.88 -38.45 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.58 -41.46 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.451 ' CG1' ' HE3' ' A' ' 659' ' ' LYS . 93.6 mt -66.99 -36.67 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.604 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -65.85 -40.85 92.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 111.072 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -55.84 -51.25 68.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.362 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' C' ' 662' ' ' LEU . 0.2 OUTLIER -66.13 -29.21 69.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -89.05 -22.13 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.41 146.97 48.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.487 ' HG2' ' OXT' ' C' ' 665' ' ' LYS . 8.3 tttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 609' ' ' VAL . 30.1 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -66.11 -35.67 81.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.04 93.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.73 99.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 609' ' ' VAL . 0.5 OUTLIER -62.29 -32.19 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.551 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.74 -39.76 66.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.158 0.504 . . . . 0.0 111.8 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.74 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.47 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' B' ' 613' ' ' ARG . 0.8 OUTLIER -63.14 -40.33 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.972 ' HA ' HD21 ' C' ' 612' ' ' LEU . 3.3 ttm105 -60.47 -41.32 93.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -44.53 96.79 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.668 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -70.0 -41.27 74.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.72 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -45.09 94.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.452 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.3 tm-20 -68.51 -33.01 73.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.845 HD21 ' HG3' ' B' ' 620' ' ' ARG . 2.4 mt -66.41 -36.23 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.87 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.5 OUTLIER -63.36 -44.15 95.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.32 -33.43 75.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 626' ' ' MET . 71.3 mt -66.39 -44.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.665 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 620' ' ' ARG . 5.4 mt -62.58 -42.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.216 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -49.25 77.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.29 -35.28 76.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.992 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.606 ' SD ' HG22 ' A' ' 622' ' ' ILE . 4.1 mtt -66.96 -37.18 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.569 ' HG3' ' HG2' ' C' ' 626' ' ' MET . 1.0 OUTLIER -68.81 -30.52 69.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.067 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -51.59 22.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.041 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -61.98 -36.5 81.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.619 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.83 -45.46 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.51 ' HE2' ' OE2' ' C' ' 633' ' ' GLU . 0.1 OUTLIER -67.45 -36.25 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 632' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -64.24 -47.45 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.985 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.578 ' HB3' HG21 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -59.91 -44.15 94.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 111.898 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.597 HG21 ' HB3' ' C' ' 633' ' ' GLU . 87.4 mt -63.13 -41.52 93.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.448 ' HA ' ' CE ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -60.28 -43.48 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.383 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.91 -39.91 87.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.716 HD11 HD12 ' B' ' 638' ' ' LEU . 2.5 mt -62.8 -35.27 79.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.699 HD12 HD11 ' C' ' 637' ' ' LEU . 0.3 OUTLIER -65.5 -46.42 79.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -39.12 91.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.756 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -43.31 98.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.007 0.432 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.619 HD22 ' HE2' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.809 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.27 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.476 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.583 ' HG2' HD11 ' A' ' 647' ' ' ILE . 53.9 tt0 -65.35 -42.59 92.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.4 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.619 ' HE2' HD22 ' A' ' 641' ' ' LEU . 43.4 mttm -61.22 -44.39 97.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.583 HD11 ' HG2' ' A' ' 643' ' ' GLU . 7.7 mt -66.81 -41.93 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 111.279 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 648' ' ' ARG . 0.9 OUTLIER -66.53 -36.52 82.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.017 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.55 -43.86 96.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.18 -33.35 75.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.68 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -62.32 -46.59 88.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.94 79.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.19 -43.13 96.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.332 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.64 -45.0 95.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.561 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.2 t -61.2 -35.08 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' ASN . . . . . 0.429 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 2.4 t30 -65.14 -41.62 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.12 -49.72 73.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.733 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.612 HG13 HD13 ' B' ' 662' ' ' LEU . 4.9 tt -64.16 -38.94 83.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -63.23 -37.78 88.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.096 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 0.3 OUTLIER -64.08 -35.64 81.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.458 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -75.99 -43.37 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.609 HD13 HG13 ' C' ' 658' ' ' ILE . 0.7 OUTLIER -62.18 -35.92 80.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.51 -27.98 41.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 609' ' ' VAL . 30.1 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.79 0.329 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -66.23 -35.63 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.09 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.7 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 605' ' ' SER . 0.5 OUTLIER -62.31 -32.14 53.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.71 -39.85 66.64 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.2 0.524 . . . . 0.0 111.775 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -44.72 95.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.485 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.965 HD21 ' HA ' ' C' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.36 97.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.967 ' HA ' HD21 ' A' ' 612' ' ' LEU . 3.3 ttm105 -60.35 -41.3 93.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -44.64 96.56 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.6 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.92 -41.28 74.84 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.997 0.427 . . . . 0.0 111.157 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.71 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -45.04 95.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.292 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.452 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.3 tm-20 -68.7 -32.88 73.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' C' ' 620' ' ' ARG . 2.4 mt -66.4 -36.3 82.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.845 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.5 OUTLIER -63.4 -44.13 95.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.2 p -65.28 -33.44 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.603 HG22 ' SD ' ' B' ' 626' ' ' MET . 71.2 mt -66.22 -45.11 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 111.617 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' B' ' 620' ' ' ARG . 5.3 mt -62.47 -42.66 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.231 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -49.18 77.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.3 -35.29 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.603 ' SD ' HG22 ' B' ' 622' ' ' ILE . 4.1 mtt -67.04 -37.05 83.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.568 ' HG3' ' HG2' ' A' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.49 69.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -51.6 22.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -62.09 -36.4 81.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.84 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.619 ' HG2' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -66.91 -45.44 77.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.515 ' HE2' ' OE2' ' A' ' 633' ' ' GLU . 0.1 OUTLIER -67.47 -36.26 80.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -47.46 79.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.586 ' HB3' HG21 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -59.87 -44.28 94.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 0.0 111.879 -178.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 633' ' ' GLU . 86.9 mt -63.05 -41.55 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.124 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -60.25 -43.46 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.441 -179.52 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -40.0 87.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.943 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.705 HD11 HD12 ' C' ' 638' ' ' LEU . 2.5 mt -62.8 -35.22 79.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 637' ' ' LEU . 0.3 OUTLIER -65.44 -46.52 79.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.19 91.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.776 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.3 98.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.624 HD22 ' HE2' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -66.71 -34.33 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.736 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.5 -42.24 98.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.52 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.585 ' HG2' HD11 ' B' ' 647' ' ' ILE . 53.8 tt0 -65.35 -42.65 92.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -42.34 92.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.624 ' HE2' HD22 ' B' ' 641' ' ' LEU . 43.4 mttm -61.15 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -43.53 98.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.585 HD11 ' HG2' ' B' ' 643' ' ' GLU . 7.8 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 111.196 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -36.4 82.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.96 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -64.13 -33.32 75.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.679 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.643 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -62.4 -46.65 87.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.653 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -38.04 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.195 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.24 -43.07 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.6 -45.09 95.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.594 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.1 t -61.11 -35.09 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.264 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 656' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 2.4 t30 -65.1 -41.66 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.14 -49.65 73.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.761 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.625 HG13 HD13 ' C' ' 662' ' ' LEU . 4.9 tt -64.25 -38.88 83.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.634 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -63.31 -37.72 88.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.81 0.338 . . . . 0.0 111.046 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 660' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 0.3 OUTLIER -64.04 -35.71 81.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.71 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -76.01 -43.34 44.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 658' ' ' ILE . 0.7 OUTLIER -62.22 -35.84 80.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.532 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.58 -28.0 41.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' C' ' 609' ' ' VAL . 30.2 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -66.06 -35.71 81.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.12 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.84 99.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.451 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.436 HG23 ' H ' ' C' ' 609' ' ' VAL . 0.5 OUTLIER -62.23 -32.13 53.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.647 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.72 -39.79 66.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 111.837 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.74 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.451 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.972 HD21 ' HA ' ' A' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.38 97.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.09 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.965 ' HA ' HD21 ' B' ' 612' ' ' LEU . 3.3 ttm105 -60.41 -41.34 93.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.55 96.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.583 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.97 -41.29 74.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.165 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.76 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.09 94.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.289 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.436 ' O ' HG13 ' C' ' 622' ' ' ILE . 1.3 tm-20 -68.49 -33.02 73.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.87 HD21 ' HG3' ' A' ' 620' ' ' ARG . 2.4 mt -66.4 -36.23 82.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.019 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.879 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.5 OUTLIER -63.46 -44.08 95.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.26 -33.43 75.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.611 HG22 ' SD ' ' C' ' 626' ' ' MET . 71.0 mt -66.36 -45.02 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.031 0.443 . . . . 0.0 111.618 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' C' ' 620' ' ' ARG . 5.3 mt -62.4 -42.76 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -49.2 77.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.258 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 20.6 m -61.28 -35.29 76.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.978 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.611 ' SD ' HG22 ' C' ' 622' ' ' ILE . 4.1 mtt -66.99 -37.09 83.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.559 ' HG3' ' HG2' ' B' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.48 69.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -51.54 23.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -62.06 -36.47 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.796 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.618 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.93 -45.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.516 ' HE2' ' OE2' ' B' ' 633' ' ' GLU . 0.1 OUTLIER -67.48 -36.28 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.4 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.023 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -59.89 -44.28 94.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 111.853 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' B' ' 633' ' ' GLU . 87.1 mt -63.04 -41.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.136 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -60.2 -43.49 95.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.476 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -39.99 87.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.005 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.699 HD11 HD12 ' A' ' 638' ' ' LEU . 2.5 mt -62.75 -35.21 79.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.753 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.705 HD12 HD11 ' B' ' 637' ' ' LEU . 0.3 OUTLIER -65.54 -46.52 79.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.07 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -43.35 97.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.602 HD22 ' HE2' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -66.51 -34.41 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' C' ' 647' ' ' ILE . 53.9 tt0 -65.25 -42.7 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.26 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -42.45 92.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.602 ' HE2' HD22 ' C' ' 641' ' ' LEU . 43.5 mttm -61.15 -44.45 97.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.29 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' C' ' 643' ' ' GLU . 7.7 mt -66.86 -42.0 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.059 0.457 . . . . 0.0 111.208 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 648' ' ' ARG . 0.9 OUTLIER -66.52 -36.45 82.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.065 -179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.92 96.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.13 -33.3 75.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.646 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -62.39 -46.63 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.689 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.93 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.16 -43.15 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 111.33 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.63 -45.04 95.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.646 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.1 t -61.18 -35.02 62.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.027 0.442 . . . . 0.0 111.25 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 656' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' C' ' 660' ' ' LYS . 2.4 t30 -65.11 -41.71 94.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.19 -49.62 73.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.734 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.609 HG13 HD13 ' A' ' 662' ' ' LEU . 5.0 tt -64.21 -38.88 83.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.695 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -63.32 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 660' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' C' ' 656' ' ' ASN . 0.3 OUTLIER -64.1 -35.58 81.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 661' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -75.99 -43.42 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.625 HD13 HG13 ' B' ' 658' ' ' ILE . 0.7 OUTLIER -62.23 -35.82 80.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.548 179.593 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.54 -28.03 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -54.19 19.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 35.7 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.752 ' O ' HG22 ' A' ' 609' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.72 0.295 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 8.4 pt20 -64.45 -34.31 77.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.23 64.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.58 89.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.434 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 605' ' ' SER . 4.7 m -66.36 -41.73 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 5.8 tt0 -61.52 -38.39 87.2 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.763 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.558 ' HB2' HH22 ' B' ' 613' ' ' ARG . 10.2 mm-40 -67.66 -35.54 79.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.0 mt -70.23 -42.01 72.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.57 HH22 ' HB2' ' C' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.77 73.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.992 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 8.8 m -57.77 -44.13 85.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.448 ' HB3' HG11 ' B' ' 616' ' ' VAL . 34.5 mt-30 -63.05 -35.84 81.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.149 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.709 HG13 HD11 ' C' ' 619' ' ' LEU . 91.2 t -60.37 -45.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -37.66 88.25 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.605 ' O ' HG13 ' A' ' 622' ' ' ILE . 14.8 tp10 -65.35 -35.58 81.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.716 HD11 HG13 ' B' ' 616' ' ' VAL . 33.5 mt -66.19 -42.03 89.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 620' ' ' ARG . 3.5 ttm180 -62.17 -40.16 95.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.44 78.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.658 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.635 HG22 HG21 ' B' ' 623' ' ' ILE . 73.2 mt -61.45 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.664 HG21 HG22 ' C' ' 622' ' ' ILE . 4.9 mt -63.75 -41.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.198 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.56 98.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 47.0 m -66.14 -36.21 82.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -44.23 97.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.684 ' HG3' HE22 ' C' ' 630' ' ' GLN . 30.9 tttp -65.71 -39.95 91.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.87 -43.99 97.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.027 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.68 71.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.723 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.6 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -60.23 -40.79 91.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -37.52 82.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -45.39 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.967 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.547 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mt-10 -64.16 -46.3 84.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.457 . . . . 0.0 111.894 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.54 HG21 ' HB3' ' C' ' 633' ' ' GLU . 61.1 mt -57.39 -37.21 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.047 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.53 -40.7 93.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.455 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -38.77 89.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.421 HD12 HG23 ' B' ' 634' ' ' ILE . 3.5 mt -64.57 -42.86 95.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 635' ' ' LYS . 9.8 mt -61.91 -39.49 92.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -39.9 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.455 ' HG2' HD22 ' B' ' 641' ' ' LEU . 28.2 tt0 -66.63 -38.51 87.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.458 HD22 ' HG2' ' C' ' 640' ' ' GLU . 0.2 OUTLIER -65.99 -35.89 81.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.794 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 642' ' ' ASP . . . . . 0.582 ' HA ' ' HD3' ' A' ' 645' ' ' LYS . 0.5 OUTLIER -63.55 -39.87 95.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.512 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 646' ' ' LYS . 20.0 mm-40 -65.08 -42.44 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.251 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.567 ' HA ' HD12 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.16 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 642' ' ' ASP . 10.2 mtpt -65.62 -37.75 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mttt -63.08 -41.38 99.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 644' ' ' GLU . 4.9 mt -68.22 -43.78 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.084 0.468 . . . . 0.0 111.205 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -64.98 -33.74 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -44.83 85.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.26 -37.04 85.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 655' ' ' VAL . 27.9 tp -61.97 -40.2 94.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.671 ' HG2' HD22 ' C' ' 651' ' ' LEU . 0.3 OUTLIER -59.08 -43.81 91.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.172 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.289 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.414 ' HG2' ' HE3' ' B' ' 659' ' ' LYS . 6.2 mt-10 -66.32 -40.99 90.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 651' ' ' LEU . 12.4 t -65.73 -45.83 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 111.224 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 656' ' ' ASN . . . . . 0.533 ' O ' ' HG3' ' A' ' 660' ' ' LYS . 97.9 m-20 -55.35 -34.37 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -49.24 71.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.721 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.483 ' H ' HG13 ' A' ' 658' ' ' ILE . 5.2 mt -64.74 -36.42 77.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.597 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.423 ' HE3' ' HG2' ' C' ' 654' ' ' GLU . 4.3 ttmm -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 656' ' ' ASN . 43.3 mtpt -60.85 -43.41 98.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.83 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.374 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.509 ' CD2' HD21 ' B' ' 662' ' ' LEU . 2.5 mm? -64.29 -38.2 90.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.07 -10.42 56.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.749 ' O ' HG22 ' B' ' 609' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.732 0.301 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 8.4 pt20 -64.66 -34.22 77.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.97 -43.97 64.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.815 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.749 HG22 ' O ' ' B' ' 605' ' ' SER . 4.7 m -66.36 -41.8 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 5.8 tt0 -61.45 -38.4 87.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.104 0.478 . . . . 0.0 111.783 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.55 ' HB2' HH22 ' C' ' 613' ' ' ARG . 10.2 mm-40 -67.67 -35.49 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.399 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.549 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.0 mt -70.36 -41.96 72.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.834 0.35 . . . . 0.0 111.075 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.558 HH22 ' HB2' ' A' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.73 73.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.7 m -57.74 -44.1 85.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.587 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.463 ' HB3' HG11 ' C' ' 616' ' ' VAL . 34.5 mt-30 -63.12 -35.78 81.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.184 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.716 HG13 HD11 ' A' ' 619' ' ' LEU . 91.6 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -37.71 88.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.607 ' O ' HG13 ' B' ' 622' ' ' ILE . 14.8 tp10 -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.71 HD11 HG13 ' C' ' 616' ' ' VAL . 33.4 mt -66.14 -42.14 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 620' ' ' ARG . 3.6 ttm180 -62.08 -40.12 94.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.71 -36.47 78.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.653 HG22 HG21 ' C' ' 623' ' ' ILE . 72.9 mt -61.44 -48.49 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.635 HG21 HG22 ' A' ' 622' ' ' ILE . 4.9 mt -63.8 -41.77 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -43.59 98.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.275 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 46.8 m -66.15 -36.12 82.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.006 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -44.21 97.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.93 -39.87 90.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.044 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.88 -43.98 97.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -44.67 71.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.605 ' HG2' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -60.15 -40.76 90.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.029 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.54 82.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.28 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.986 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.535 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mt-10 -64.24 -46.26 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.087 0.47 . . . . 0.0 111.893 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' A' ' 633' ' ' GLU . 60.4 mt -57.31 -37.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.5 -40.75 93.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.42 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.84 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.435 HD12 HG23 ' C' ' 634' ' ' ILE . 3.5 mt -64.49 -42.91 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -61.87 -39.48 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -39.89 86.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.823 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.474 ' HG2' HD22 ' C' ' 641' ' ' LEU . 28.2 tt0 -66.66 -38.5 86.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.999 0.428 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.455 HD22 ' HG2' ' A' ' 640' ' ' GLU . 0.2 OUTLIER -65.92 -35.91 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.861 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 642' ' ' ASP . . . . . 0.581 ' HA ' ' HD3' ' B' ' 645' ' ' LYS . 0.5 OUTLIER -63.48 -39.94 95.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.506 -179.456 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.14 -42.43 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.554 ' HA ' HD12 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.15 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.83 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' B' ' 642' ' ' ASP . 10.2 mtpt -65.64 -37.78 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.726 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -62.99 -41.5 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 644' ' ' GLU . 5.0 mt -68.17 -43.78 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 111.234 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -65.01 -33.68 76.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.077 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -44.79 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.24 -37.06 86.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.721 ' O ' HG23 ' B' ' 655' ' ' VAL . 27.9 tp -62.0 -40.16 94.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.667 ' HG2' HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -59.12 -43.84 91.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.084 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -36.13 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.276 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.43 ' HG2' ' HE3' ' C' ' 659' ' ' LYS . 6.3 mt-10 -66.22 -40.98 90.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 651' ' ' LEU . 12.8 t -65.91 -45.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 656' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' B' ' 660' ' ' LYS . 97.9 m-20 -55.26 -34.45 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -49.27 71.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 658' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.69 -36.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.688 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.414 ' HE3' ' HG2' ' A' ' 654' ' ' GLU . 4.3 ttmm -67.08 -36.56 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.795 0.331 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 660' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 656' ' ' ASN . 43.4 mtpt -60.8 -43.41 98.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.86 84.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.31 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.514 ' CD2' HD21 ' C' ' 662' ' ' LEU . 2.5 mm? -64.32 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -10.43 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.745 ' O ' HG22 ' C' ' 609' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 8.4 pt20 -64.52 -34.35 78.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.04 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.54 89.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.418 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.745 HG22 ' O ' ' C' ' 605' ' ' SER . 4.7 m -66.33 -41.75 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 5.9 tt0 -61.58 -38.36 87.25 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.199 0.523 . . . . 0.0 111.751 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.57 ' HB2' HH22 ' A' ' 613' ' ' ARG . 10.2 mm-40 -67.63 -35.53 79.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.0 mt -70.26 -41.97 72.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.125 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.55 HH22 ' HB2' ' B' ' 611' ' ' GLU . 6.4 mtt-85 -54.63 -44.83 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 8.6 m -57.64 -44.06 85.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.702 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.461 ' HB3' HG11 ' A' ' 616' ' ' VAL . 34.5 mt-30 -63.2 -35.79 81.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 111.116 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.71 HG13 HD11 ' B' ' 619' ' ' LEU . 89.7 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -37.62 88.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.385 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.598 ' O ' HG13 ' C' ' 622' ' ' ILE . 14.8 tp10 -65.43 -35.52 81.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.709 HD11 HG13 ' A' ' 616' ' ' VAL . 33.2 mt -66.17 -42.06 89.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' C' ' 620' ' ' ARG . 3.6 ttm180 -62.19 -40.12 95.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.5 78.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.664 HG22 HG21 ' A' ' 623' ' ' ILE . 73.2 mt -61.42 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.637 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.653 HG21 HG22 ' B' ' 622' ' ' ILE . 4.8 mt -63.66 -41.88 94.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.23 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -43.66 98.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.3 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 46.5 m -66.06 -36.22 82.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -44.2 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.84 -39.82 91.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.9 -43.99 97.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -44.66 71.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.739 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.684 HE22 ' HG3' ' A' ' 627' ' ' LYS . 0.0 OUTLIER -60.16 -40.84 91.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -37.46 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -45.34 94.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.88 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.2 mt-10 -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.894 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' B' ' 633' ' ' GLU . 60.7 mt -57.34 -37.27 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.118 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.487 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.43 -40.76 93.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.454 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -38.8 89.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.942 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 634' ' ' ILE . 3.5 mt -64.54 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.79 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -61.89 -39.48 92.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -39.87 86.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.458 ' HG2' HD22 ' A' ' 641' ' ' LEU . 28.2 tt0 -66.65 -38.48 86.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.474 HD22 ' HG2' ' B' ' 640' ' ' GLU . 0.2 OUTLIER -65.98 -35.88 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.808 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 642' ' ' ASP . . . . . 0.594 ' HA ' ' HD3' ' C' ' 645' ' ' LYS . 0.5 OUTLIER -63.58 -39.84 95.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.49 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.416 ' HA ' ' HE3' ' C' ' 646' ' ' LYS . 20.0 mm-40 -65.12 -42.46 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.253 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -61.72 -38.15 86.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.869 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.594 ' HD3' ' HA ' ' C' ' 642' ' ' ASP . 10.2 mtpt -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' C' ' 643' ' ' GLU . 19.5 mttt -63.14 -41.3 99.26 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' C' ' 644' ' ' GLU . 5.0 mt -68.29 -43.76 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -65.04 -33.73 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -44.85 85.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 82.1 mtm-85 -65.25 -36.92 85.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.71 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.743 ' O ' HG23 ' C' ' 655' ' ' VAL . 28.0 tp -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.662 ' HG2' HD22 ' B' ' 651' ' ' LEU . 0.3 OUTLIER -59.11 -43.86 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -36.18 83.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.423 ' HG2' ' HE3' ' A' ' 659' ' ' LYS . 6.2 mt-10 -66.34 -40.97 90.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.469 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.743 HG23 ' O ' ' C' ' 651' ' ' LEU . 12.8 t -65.86 -45.76 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.218 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 656' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' C' ' 660' ' ' LYS . 97.9 m-20 -55.34 -34.37 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -49.29 71.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 658' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.73 -36.32 77.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.717 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.43 ' HE3' ' HG2' ' B' ' 654' ' ' GLU . 4.3 ttmm -67.12 -36.52 82.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 660' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' C' ' 656' ' ' ASN . 43.3 mtpt -60.84 -43.46 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.92 84.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.406 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.514 HD21 ' CD2' ' B' ' 662' ' ' LEU . 2.5 mm? -64.2 -38.27 90.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.04 -10.44 56.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p -79.35 153.39 29.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.062 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.793 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.0 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -67.59 -42.91 81.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.9 98.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.79 89.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.471 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 605' ' ' SER . 27.5 t -62.67 -39.52 85.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.9 -41.57 97.66 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.126 0.489 . . . . 0.0 111.796 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.18 -40.34 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.433 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 616' ' ' VAL . 11.0 mt -60.71 -44.09 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.543 ' HA ' HD21 ' C' ' 612' ' ' LEU . 3.9 ttm105 -59.26 -39.5 83.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -51.73 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.44 -35.8 81.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 111.127 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 612' ' ' LEU . 55.6 t -66.32 -50.28 69.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.379 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.408 ' OE2' HD11 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.017 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' B' ' 623' ' ' ILE . 9.9 mt -70.57 -40.62 73.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.454 ' HG3' HD21 ' C' ' 619' ' ' LEU . 18.3 ttm-85 -63.83 -40.02 95.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.61 -42.29 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.659 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 626' ' ' MET . 11.9 mt -62.67 -43.14 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.592 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' C' ' 619' ' ' LEU . 13.8 mt -60.77 -43.6 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -43.65 98.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -38.57 80.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 43.0 mtt -65.93 -38.48 88.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.68 -45.15 91.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -66.96 -50.32 62.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -37.13 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -62.02 -42.55 99.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mm-40 -65.84 -41.06 92.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.999 0.428 . . . . 0.0 111.809 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.585 HG21 ' HB3' ' C' ' 633' ' ' GLU . 39.9 mt -65.57 -41.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.121 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.82 99.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.512 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.625 HD23 HD12 ' B' ' 641' ' ' LEU . 2.4 mt -64.63 -43.45 93.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 634' ' ' ILE . 0.2 OUTLIER -62.95 -44.64 95.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -45.49 94.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.408 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.4 -40.37 96.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.898 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.613 HD12 HD23 ' C' ' 637' ' ' LEU . 0.7 OUTLIER -62.92 -44.26 96.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.784 179.494 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 642' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' A' ' 645' ' ' LYS . 0.9 OUTLIER -60.02 -41.54 92.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.509 -179.322 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -40.08 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.216 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.492 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.5 OUTLIER -63.72 -38.46 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.907 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 641' ' ' LEU . 15.7 mttm -61.44 -42.54 98.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.745 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -60.45 -44.95 95.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -179.653 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.5 mt -68.47 -42.47 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 111.185 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.491 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.5 ttm105 -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.038 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -43.01 99.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 13.3 mtm180 -63.34 -33.45 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.668 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -65.09 -44.3 89.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.785 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.612 ' HA ' HD21 ' C' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.63 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.171 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.34 97.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.308 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.71 -42.64 97.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 651' ' ' LEU . 23.0 t -64.19 -37.17 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.13 -40.98 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.45 -47.92 74.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.829 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.601 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 0.6 OUTLIER -65.51 -31.94 56.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.603 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -68.62 -39.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.56 -47.06 85.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.921 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.53 75.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -82.23 -27.51 32.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.797 ' O ' HG23 ' B' ' 609' ' ' VAL . 22.9 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -67.74 -42.86 81.19 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.02 97.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.788 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.81 89.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.445 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.797 HG23 ' O ' ' B' ' 605' ' ' SER . 27.4 t -62.66 -39.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.97 -41.58 97.5 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.189 0.519 . . . . 0.0 111.788 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.13 -40.38 97.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.42 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.571 ' O ' HG23 ' B' ' 616' ' ' VAL . 11.0 mt -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.127 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.523 ' HA ' HD21 ' A' ' 612' ' ' LEU . 3.9 ttm105 -59.29 -39.42 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.041 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -51.8 67.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.646 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 111.15 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 612' ' ' LEU . 55.0 t -66.26 -50.27 69.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.79 95.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.335 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.418 ' HB3' HH22 ' C' ' 620' ' ' ARG . 0.2 OUTLIER -62.66 -31.06 71.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' C' ' 623' ' ' ILE . 9.9 mt -70.54 -40.54 73.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.45 ' HG3' HD21 ' A' ' 619' ' ' LEU . 18.2 ttm-85 -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.6 -42.33 91.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.647 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.562 ' O ' ' HG3' ' B' ' 626' ' ' MET . 12.0 mt -62.69 -43.09 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.598 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.456 ' CD1' HD22 ' A' ' 619' ' ' LEU . 13.8 mt -60.85 -43.52 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -43.73 98.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -38.53 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.043 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 42.9 mtt -65.85 -38.55 89.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.69 -45.16 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.88 -30.98 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.93 -50.32 62.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.4 ' HG2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.98 -37.11 85.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -61.98 -42.55 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.08 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.975 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.606 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mm-40 -65.8 -40.96 92.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.101 0.477 . . . . 0.0 111.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.598 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.1 mt -65.65 -41.93 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.112 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.85 99.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.392 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.48 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.625 HD23 HD12 ' C' ' 641' ' ' LEU . 2.4 mt -64.59 -43.54 93.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.447 HD12 ' O ' ' B' ' 634' ' ' ILE . 0.2 OUTLIER -62.92 -44.53 95.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -45.52 94.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.773 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -62.32 -40.43 96.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.012 0.434 . . . . 0.0 110.888 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.625 HD12 HD23 ' A' ' 637' ' ' LEU . 0.7 OUTLIER -62.98 -44.29 96.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.728 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 642' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' B' ' 645' ' ' LYS . 0.9 OUTLIER -59.94 -41.59 92.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -40.09 89.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.22 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.49 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.5 OUTLIER -63.76 -38.43 91.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.929 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 641' ' ' LEU . 15.7 mttm -61.47 -42.48 98.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.76 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -60.5 -44.94 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.489 HG12 HH21 ' B' ' 650' ' ' ARG . 3.6 mt -68.47 -42.49 83.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.962 0.41 . . . . 0.0 111.165 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 4.5 ttm105 -60.35 -42.61 96.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.023 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 13.3 mtm180 -63.3 -33.44 75.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.733 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -65.06 -44.37 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.762 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD21 ' A' ' 651' ' ' LEU . 3.1 tt0 -64.14 -40.67 96.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.166 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -41.44 97.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.306 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.68 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 651' ' ' LEU . 23.1 t -64.27 -37.24 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.126 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.1 -40.93 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.759 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.601 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -31.95 56.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.732 -179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.601 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -68.55 -39.64 80.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.111 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.71 -46.97 85.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.51 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.92 -34.96 79.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -82.25 -27.51 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.791 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -67.72 -42.83 81.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.04 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.83 89.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.492 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.791 HG23 ' O ' ' C' ' 605' ' ' SER . 27.0 t -62.61 -39.58 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.583 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.195 0.522 . . . . 0.0 111.812 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.06 -40.36 97.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.441 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.573 ' O ' HG23 ' C' ' 616' ' ' VAL . 11.0 mt -60.85 -43.93 97.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 111.161 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.529 ' HA ' HD21 ' B' ' 612' ' ' LEU . 3.9 ttm105 -59.31 -39.49 83.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.023 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.87 67.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.567 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 111.086 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.573 HG23 ' O ' ' C' ' 612' ' ' LEU . 55.3 t -66.24 -50.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -44.92 95.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.376 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' A' ' 620' ' ' ARG . 0.2 OUTLIER -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.999 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 623' ' ' ILE . 9.9 mt -70.49 -40.53 73.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' B' ' 619' ' ' LEU . 18.2 ttm-85 -64.04 -39.87 95.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.63 -42.31 91.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.629 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' C' ' 626' ' ' MET . 11.9 mt -62.69 -43.08 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.63 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.46 ' CD1' HD22 ' B' ' 619' ' ' LEU . 13.7 mt -60.88 -43.51 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.57 98.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.264 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -38.53 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 42.9 mtt -65.93 -38.39 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.7 -45.2 91.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.031 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.99 -30.87 69.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -67.04 -50.27 62.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.4 ' HB3' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -65.84 -37.19 85.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -61.96 -42.58 99.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.06 99.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.023 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.585 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.1 mm-40 -65.68 -41.09 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.0 mt -65.66 -41.85 91.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.125 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.5 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.613 HD23 HD12 ' A' ' 641' ' ' LEU . 2.4 mt -64.67 -43.44 93.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.443 HD12 ' O ' ' C' ' 634' ' ' ILE . 0.2 OUTLIER -62.88 -44.65 95.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -45.46 94.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.769 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.412 ' HB3' HD13 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.37 -40.44 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.982 0.42 . . . . 0.0 110.865 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.625 HD12 HD23 ' B' ' 637' ' ' LEU . 0.7 OUTLIER -62.88 -44.29 96.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.822 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 642' ' ' ASP . . . . . 0.511 ' HA ' ' HD2' ' C' ' 645' ' ' LYS . 0.9 OUTLIER -59.97 -41.58 92.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.538 -179.364 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -40.11 89.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.254 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.491 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.5 OUTLIER -63.75 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' C' ' 641' ' ' LEU . 15.6 mttm -61.43 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.699 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -60.52 -44.95 95.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.605 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.478 HG12 HH21 ' C' ' 650' ' ' ARG . 3.5 mt -68.47 -42.52 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 111.216 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 4.5 ttm105 -60.33 -42.55 95.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.063 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 13.3 mtm180 -63.32 -33.46 75.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.661 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.694 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -65.16 -44.28 89.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.755 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.63 ' HA ' HD21 ' B' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.61 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.186 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.43 97.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.67 -42.6 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.694 HG23 ' O ' ' C' ' 651' ' ' LEU . 23.0 t -64.21 -37.14 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.209 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.08 -41.02 99.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.42 -48.04 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.603 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -32.07 56.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.634 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.601 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -68.51 -39.69 81.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.022 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.67 -46.99 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.5 75.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.359 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.98 -34.96 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -82.18 -27.48 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -52.57 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.732 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.429 ' O ' HG23 ' A' ' 609' ' ' VAL . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -62.31 -34.08 75.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.64 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.27 90.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 605' ' ' SER . 38.8 t -62.34 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.82 -44.99 91.01 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.154 0.502 . . . . 0.0 111.738 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -42.48 94.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.41 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.885 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.1 mt -63.54 -37.42 87.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.109 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.883 ' HA ' HD21 ' C' ' 612' ' ' LEU . 6.0 ttm105 -64.29 -36.15 83.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.024 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -41.83 84.71 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.697 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.01 -36.26 79.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.977 0.418 . . . . 0.0 111.164 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 612' ' ' LEU . 71.8 t -67.99 -47.29 79.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -45.03 91.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.312 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.0 OUTLIER -65.49 -41.94 92.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.739 HD21 ' HG3' ' B' ' 620' ' ' ARG . 3.2 mt -60.92 -40.89 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.749 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.43 -44.62 89.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 621' ' ' SER . . . . . 0.635 ' O ' HG23 ' A' ' 625' ' ' THR . 0.1 OUTLIER -67.02 -33.1 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.595 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.604 HG22 ' SD ' ' A' ' 626' ' ' MET . 83.6 mt -70.75 -36.29 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.563 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.66 HD13 HD22 ' C' ' 619' ' ' LEU . 5.2 mt -71.0 -45.28 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -42.27 95.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 621' ' ' SER . 76.7 p -67.49 -40.79 85.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.967 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.604 ' SD ' HG22 ' A' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.422 ' HG2' HE22 ' C' ' 630' ' ' GLN . 4.1 tmtm? -63.43 -40.19 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -48.96 74.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -39.28 89.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.437 HE22 ' HG2' ' B' ' 627' ' ' LYS . 0.2 OUTLIER -68.5 -43.6 76.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.412 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 1.1 mmtp -62.69 -37.29 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -42.59 96.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.039 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.455 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.4 mt-10 -64.7 -42.92 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.104 0.478 . . . . 0.0 111.867 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.583 ' O ' HD12 ' A' ' 638' ' ' LEU . 59.3 mt -66.43 -44.29 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.084 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -56.87 -46.84 81.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.398 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.01 -42.89 95.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.992 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.3 mt -59.09 -40.13 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.714 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 634' ' ' ILE . 0.6 OUTLIER -62.72 -46.43 88.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -31.61 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.797 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.48 -47.58 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -36.05 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.813 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.531 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -64.41 -43.77 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -64.1 -39.19 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.27 -37.44 74.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.1 83.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 644' ' ' GLU . 7.1 mt -66.31 -36.28 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 111.258 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.09 -43.68 70.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.83 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -57.68 -36.55 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -54.47 -47.73 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.581 ' HA ' HD21 ' C' ' 651' ' ' LEU . 1.8 tt0 -59.76 -36.14 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 4.0 mtm -63.29 -40.25 96.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.237 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.52 -41.0 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 651' ' ' LEU . 2.9 t -63.11 -43.13 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.001 0.429 . . . . 0.0 111.193 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.47 76.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -51.2 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.44 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 1.2 tt -67.0 -31.44 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.446 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.38 -44.36 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.88 -42.58 89.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.95 82.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.333 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.21 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.5 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -84.06 -25.1 30.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.811 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 609' ' ' VAL . 5.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.77 0.319 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -62.25 -34.08 75.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.51 89.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.36 90.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.427 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 605' ' ' SER . 38.9 t -62.27 -44.96 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.76 -45.03 90.69 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.134 0.492 . . . . 0.0 111.774 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -42.38 94.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.1 mt -63.56 -37.49 87.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.885 ' HA ' HD21 ' A' ' 612' ' ' LEU . 6.0 ttm105 -64.15 -36.31 83.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -41.95 85.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.07 -36.29 79.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.111 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 612' ' ' LEU . 72.5 t -67.91 -47.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -45.07 91.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.361 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.45 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.0 OUTLIER -65.36 -42.02 93.21 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.733 HD21 ' HG3' ' C' ' 620' ' ' ARG . 3.2 mt -60.89 -40.97 95.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.739 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.4 -44.56 89.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 621' ' ' SER . . . . . 0.63 ' O ' HG23 ' B' ' 625' ' ' THR . 0.1 OUTLIER -67.11 -33.05 74.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.554 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.596 HG22 ' SD ' ' B' ' 626' ' ' MET . 82.8 mt -70.68 -36.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.633 HD13 HD22 ' A' ' 619' ' ' LEU . 5.2 mt -70.98 -45.24 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.22 95.28 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.248 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 625' ' ' THR . . . . . 0.63 HG23 ' O ' ' B' ' 621' ' ' SER . 76.5 p -67.4 -40.89 85.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.596 ' SD ' HG22 ' B' ' 622' ' ' ILE . 4.7 mtt -62.53 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.437 ' HG2' HE22 ' A' ' 630' ' ' GLN . 4.1 tmtm? -63.42 -40.3 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -48.96 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -39.42 90.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.424 HE22 ' HG2' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -68.44 -43.52 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 -179.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.403 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 1.1 mmtp -62.77 -37.28 86.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.63 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.995 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.455 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.4 mt-10 -64.71 -42.98 94.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.006 0.431 . . . . 0.0 111.84 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.582 ' O ' HD12 ' B' ' 638' ' ' LEU . 59.4 mt -66.37 -44.3 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.083 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -56.81 -46.9 81.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.06 -42.88 95.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.3 mt -58.95 -40.19 83.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.767 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.582 HD12 ' O ' ' B' ' 634' ' ' ILE . 0.6 OUTLIER -62.67 -46.55 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -31.64 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.47 -47.57 63.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -36.1 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.814 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -43.86 93.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.544 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.38 -43.79 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.254 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -64.13 -39.18 93.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.24 -37.48 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.76 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -45.19 83.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' B' ' 644' ' ' GLU . 7.2 mt -66.27 -36.3 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 121.031 0.443 . . . . 0.0 111.179 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 648' ' ' ARG . 3.5 tmm_? -70.11 -43.75 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.73 -52.94 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.63 -36.59 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.628 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -54.48 -47.77 72.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.743 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.581 ' HA ' HD21 ' A' ' 651' ' ' LEU . 1.8 tt0 -59.72 -36.12 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.189 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.9 mtm -63.34 -40.2 96.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.45 -41.08 85.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 651' ' ' LEU . 2.9 t -63.12 -43.12 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 111.138 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.42 75.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -51.12 61.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.439 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 1.2 tt -67.13 -31.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.654 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.44 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.37 -44.41 83.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.085 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.89 -42.56 89.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.88 82.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.355 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.18 72.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -84.09 -25.06 30.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' C' ' 609' ' ' VAL . 5.1 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -62.27 -34.08 75.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.58 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.3 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.462 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.431 HG23 ' O ' ' C' ' 605' ' ' SER . 38.7 t -62.3 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.68 -45.09 90.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.148 0.499 . . . . 0.0 111.767 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -42.51 94.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.43 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.883 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.1 mt -63.47 -37.54 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.857 ' HA ' HD21 ' B' ' 612' ' ' LEU . 6.1 ttm105 -64.22 -36.24 83.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -41.91 85.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.634 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.02 -36.25 79.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.019 0.438 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.489 HG23 ' O ' ' C' ' 612' ' ' LEU . 71.6 t -68.05 -47.3 79.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.04 91.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.26 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.443 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.9 OUTLIER -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 620' ' ' ARG . 3.2 mt -60.86 -40.92 94.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.733 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.4 -44.62 89.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 621' ' ' SER . . . . . 0.635 ' O ' HG23 ' C' ' 625' ' ' THR . 0.1 OUTLIER -67.07 -33.05 74.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.62 179.534 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' C' ' 626' ' ' MET . 83.2 mt -70.7 -36.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.628 HD13 HD22 ' B' ' 619' ' ' LEU . 5.2 mt -71.02 -45.29 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.179 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -42.25 95.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 625' ' ' THR . . . . . 0.635 HG23 ' O ' ' C' ' 621' ' ' SER . 76.1 p -67.41 -40.86 85.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.007 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.606 ' SD ' HG22 ' C' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.424 ' HG2' HE22 ' B' ' 630' ' ' GLN . 4.1 tmtm? -63.53 -40.18 96.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -48.91 75.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.031 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -39.36 90.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.422 HE22 ' HG2' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -68.46 -43.52 76.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.408 ' HE3' ' HG3' ' B' ' 630' ' ' GLN . 1.1 mmtp -62.7 -37.33 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -42.62 95.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.443 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.4 mt-10 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.068 0.461 . . . . 0.0 111.886 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.594 ' O ' HD12 ' C' ' 638' ' ' LEU . 59.5 mt -66.33 -44.27 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -56.81 -46.83 81.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.443 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.22 -42.8 95.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.3 mt -59.09 -40.04 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.594 HD12 ' O ' ' C' ' 634' ' ' ILE . 0.6 OUTLIER -62.78 -46.48 87.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.119 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.51 -47.52 63.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -36.13 79.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.79 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.86 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.46 -43.75 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.186 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.425 ' HA ' HD12 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -64.16 -39.19 93.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.22 -37.46 74.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -45.12 83.12 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' C' ' 644' ' ' GLU . 7.1 mt -66.36 -36.19 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.211 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.6 tmm_? -70.17 -43.74 70.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.024 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.407 HD23 ' HE2' ' C' ' 653' ' ' MET . 1.5 tt -58.76 -52.99 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.747 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.719 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.759 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -54.47 -47.76 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.711 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' B' ' 651' ' ' LEU . 1.8 tt0 -59.79 -36.07 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.209 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 653' ' ' MET . . . . . 0.407 ' HE2' HD23 ' C' ' 649' ' ' LEU . 4.0 mtm -63.32 -40.25 96.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.41 -41.14 85.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.586 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.759 HG23 ' O ' ' C' ' 651' ' ' LEU . 2.9 t -63.01 -43.16 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 111.203 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.34 -33.45 76.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -51.07 61.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.741 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.446 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 1.2 tt -67.13 -31.38 53.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.439 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.32 -44.43 83.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.81 -42.64 89.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.9 82.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.339 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.7 -31.17 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -83.98 -25.14 30.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t -75.94 -48.48 21.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.603 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 14.7 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.051 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 609' ' ' VAL . 29.7 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -70.73 -36.99 73.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.17 99.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.91 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.417 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 605' ' ' SER . 2.4 t -68.38 -33.18 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -48.78 80.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.14 0.495 . . . . 0.0 111.734 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.64 -43.84 97.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.433 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.627 HD22 HG21 ' B' ' 616' ' ' VAL . 7.7 mt -59.71 -39.22 83.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.618 HH11 ' HB2' ' A' ' 613' ' ' ARG . 8.8 ttm105 -59.12 -45.55 90.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -47.95 83.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.675 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.553 HE22 HH21 ' B' ' 617' ' ' ARG . 4.1 tt0 -69.19 -36.42 77.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.997 0.427 . . . . 0.0 111.122 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.615 HG21 HD22 ' C' ' 612' ' ' LEU . 36.1 t -65.35 -46.68 89.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.162 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.552 HH21 HE22 ' C' ' 615' ' ' GLN . 0.0 OUTLIER -64.69 -42.52 95.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.356 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.014 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 623' ' ' ILE . 1.9 mt -55.49 -41.88 73.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.616 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.82 -46.21 88.18 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.87 -32.5 74.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.59 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 626' ' ' MET . 43.4 mt -68.29 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.048 0.452 . . . . 0.0 111.672 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 619' ' ' LEU . 4.3 mt -63.3 -38.79 83.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.95 -43.2 88.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.48 -45.77 74.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.007 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.413 ' HG3' ' HB3' ' C' ' 626' ' ' MET . 3.2 tmtm? -64.02 -40.09 95.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.21 -40.0 93.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.37 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.771 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -65.27 -42.84 92.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.468 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -64.05 -40.92 97.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 632' ' ' ARG . . . . . 0.466 ' NH2' ' HB3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.37 98.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.959 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' B' ' 634' ' ' ILE . 1.3 mt-10 -63.78 -43.03 97.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.873 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.716 HG21 ' HB3' ' C' ' 633' ' ' GLU . 27.0 mt -65.64 -43.15 93.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.115 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.1 -44.45 79.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -35.66 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.632 HD12 HG23 ' B' ' 634' ' ' ILE . 3.0 mt -65.24 -43.87 90.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.9 -45.25 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.103 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.57 -39.74 92.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.93 -43.52 92.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.11 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.762 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.35 -34.15 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -70.01 -48.25 58.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.211 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.498 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -35.44 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.887 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.5 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 21.2 mttm -61.26 -38.78 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.25 87.01 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.469 ' H ' HG13 ' A' ' 647' ' ' ILE . 1.8 mt -68.12 -41.45 84.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.465 HH21 ' HG2' ' C' ' 644' ' ' GLU . 3.4 tmm_? -56.3 -49.97 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.0 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.17 95.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.49 -35.78 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.37 -44.96 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.536 ' HA ' HD21 ' C' ' 651' ' ' LEU . 5.6 tt0 -59.35 -38.68 81.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.168 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.01 -40.34 94.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.336 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.554 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.6 t -62.62 -39.13 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.98 0.419 . . . . 0.0 111.189 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -62.87 -33.61 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.71 -50.97 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 658' ' ' ILE . 0.7 OUTLIER -64.09 -30.03 48.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.658 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -43.99 87.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -40.6 95.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.67 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.304 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -29.11 66.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -28.98 24.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 609' ' ' VAL . 29.7 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -70.64 -37.16 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.16 98.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.89 92.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 605' ' ' SER . 2.4 t -68.34 -33.25 59.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.657 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.02 -48.87 79.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.174 0.512 . . . . 0.0 111.791 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.604 HD22 HG21 ' C' ' 616' ' ' VAL . 7.8 mt -59.69 -39.24 83.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.11 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.626 ' HB2' HH11 ' B' ' 613' ' ' ARG . 8.9 ttm105 -59.09 -45.59 90.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -47.85 83.62 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.621 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.559 HE22 HH21 ' C' ' 617' ' ' ARG . 4.1 tt0 -69.33 -36.32 76.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 111.15 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.627 HG21 HD22 ' A' ' 612' ' ' LEU . 36.5 t -65.37 -46.6 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.553 HH21 HE22 ' A' ' 615' ' ' GLN . 0.0 OUTLIER -64.81 -42.48 94.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.14 -40.22 95.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.657 ' O ' HD12 ' B' ' 623' ' ' ILE . 1.8 mt -55.51 -41.84 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.629 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.91 -46.15 88.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' B' ' 626' ' ' MET . 43.4 mt -68.38 -47.98 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.655 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.657 HD12 ' O ' ' B' ' 619' ' ' LEU . 4.3 mt -63.31 -38.86 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.21 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.88 -43.17 89.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -45.69 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.99 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.56 98.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' A' ' 626' ' ' MET . 3.2 tmtm? -64.2 -39.95 95.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.41 78.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.453 ' HG3' ' HE3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -65.31 -42.69 92.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.973 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.465 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.16 -40.86 97.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.452 ' NH2' ' HB3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.978 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.711 ' HB3' HG21 ' C' ' 634' ' ' ILE . 1.3 mt-10 -63.74 -43.07 97.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.108 0.48 . . . . 0.0 111.877 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' A' ' 633' ' ' GLU . 27.2 mt -65.58 -43.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.102 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.02 -44.46 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.401 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -35.63 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.645 HD12 HG23 ' C' ' 634' ' ' ILE . 3.0 mt -65.25 -43.84 90.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.763 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.81 -45.27 94.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.168 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.65 -39.73 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.95 -43.6 92.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.74 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.36 -34.16 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.05 -48.19 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.245 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.497 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.42 79.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.896 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 21.1 mttm -61.27 -38.84 88.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.36 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.489 ' H ' HG13 ' B' ' 647' ' ' ILE . 1.8 mt -67.99 -41.59 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.101 0.477 . . . . 0.0 111.162 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.483 HH21 ' HG2' ' A' ' 644' ' ' GLU . 3.4 tmm_? -56.32 -49.91 72.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.24 95.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -64.39 -35.83 82.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.726 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.729 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.554 ' HA ' HD21 ' A' ' 651' ' ' LEU . 5.6 tt0 -59.41 -38.68 81.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.152 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.93 -40.47 95.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.301 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -46.64 88.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.544 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.6 t -62.58 -39.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.86 -33.59 75.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.57 -51.04 55.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.7 OUTLIER -64.14 -30.02 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.659 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -44.05 87.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -40.7 95.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.62 83.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.17 66.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -29.05 24.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.993 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.544 ' O ' HG23 ' C' ' 609' ' ' VAL . 29.6 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.749 0.309 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -70.67 -37.09 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.13 98.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.91 92.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.398 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 605' ' ' SER . 2.4 t -68.39 -33.24 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.583 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.08 -48.78 80.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.176 0.513 . . . . 0.0 111.782 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.419 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 616' ' ' VAL . 7.7 mt -59.81 -39.09 83.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.631 HH11 ' HB2' ' C' ' 613' ' ' ARG . 8.8 ttm105 -59.21 -45.57 90.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -47.94 83.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.652 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.552 HE22 HH21 ' A' ' 617' ' ' ARG . 4.1 tt0 -69.29 -36.31 76.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.998 0.427 . . . . 0.0 111.146 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.604 HG21 HD22 ' B' ' 612' ' ' LEU . 36.0 t -65.34 -46.68 89.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.559 HH21 HE22 ' B' ' 615' ' ' GLN . 0.0 OUTLIER -64.7 -42.55 95.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.31 -179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.21 95.68 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.012 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.631 ' O ' HD12 ' C' ' 623' ' ' ILE . 1.9 mt -55.48 -41.79 73.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.067 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.642 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.88 -46.27 88.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.82 -32.44 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.571 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' C' ' 626' ' ' MET . 42.8 mt -68.46 -47.93 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.631 HD12 ' O ' ' C' ' 619' ' ' LEU . 4.3 mt -63.28 -38.88 83.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -65.83 -43.24 89.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -45.83 74.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 17.3 mtt -60.99 -42.56 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.969 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.423 ' HG3' ' HB3' ' B' ' 626' ' ' MET . 3.2 tmtm? -64.15 -39.98 95.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.31 -39.99 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.04 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -42.42 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.468 ' HG3' ' HE3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -65.32 -42.79 92.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.468 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -40.88 97.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 632' ' ' ARG . . . . . 0.468 ' NH2' ' HB3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.38 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.969 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.716 ' HB3' HG21 ' A' ' 634' ' ' ILE . 1.3 mt-10 -63.81 -42.99 97.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 111.874 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' B' ' 633' ' ' GLU . 27.2 mt -65.6 -43.23 94.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.141 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.09 -44.42 79.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.427 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -35.63 81.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.637 HD12 HG23 ' A' ' 634' ' ' ILE . 3.0 mt -65.28 -43.81 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.782 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.87 -45.29 94.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.2 p -61.52 -39.8 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.93 -43.59 92.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.036 0.446 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.754 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.558 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.08 -48.23 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.201 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.5 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.52 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.781 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.497 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 21.1 mttm -61.19 -38.82 87.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -47.29 86.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.439 ' HB ' ' HD3' ' A' ' 648' ' ' ARG . 1.8 mt -68.11 -41.51 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 121.068 0.461 . . . . 0.0 111.159 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.473 HH21 ' HG2' ' B' ' 644' ' ' GLU . 3.4 tmm_? -56.24 -49.99 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.075 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -40.26 95.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.695 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.42 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.563 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.3 -44.88 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.549 ' HA ' HD21 ' B' ' 651' ' ' LEU . 5.6 tt0 -59.44 -38.66 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.96 -40.46 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.31 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -46.65 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.548 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.563 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.6 t -62.54 -39.23 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.82 -33.66 75.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.55 -51.12 54.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.728 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.411 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.7 OUTLIER -64.01 -30.03 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.7 -179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.63 -44.06 87.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.62 95.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.57 83.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.21 66.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.544 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -29.02 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t -67.72 -32.65 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 6.4 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.049 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -42.02 79.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.99 91.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 605' ' ' SER . 62.4 t -62.86 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.3 -38.29 79.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.182 0.515 . . . . 0.0 111.783 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.31 -42.86 92.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 616' ' ' VAL . 9.9 tp -67.46 -39.62 85.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.425 ' HD2' HD13 ' C' ' 612' ' ' LEU . 2.8 tpt180 -62.43 -43.6 98.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.1 p -63.53 -41.91 98.46 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.642 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -37.9 78.69 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 111.13 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 612' ' ' LEU . 88.8 t -67.02 -50.15 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -48.11 83.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -37.86 86.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 623' ' ' ILE . 53.2 tp -63.39 -40.19 96.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.664 ' HD2' HD13 ' C' ' 619' ' ' LEU . 0.7 OUTLIER -61.59 -35.35 77.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -39.46 94.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 619' ' ' LEU . 11.6 mt -70.09 -37.45 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.635 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.1 mp -61.66 -48.87 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.246 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.67 -34.05 75.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 3.1 m -72.26 -43.47 64.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.009 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.408 ' HG3' ' HE3' ' B' ' 627' ' ' LYS . 5.6 ttm -63.18 -35.48 80.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 1.0 OUTLIER -65.75 -51.02 62.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -28.0 65.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 625' ' ' THR . 0.0 OUTLIER -68.73 -43.15 76.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.796 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 627' ' ' LYS . 12.2 pt20 -70.04 -33.94 72.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -65.8 -38.29 88.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -72.19 -39.82 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.966 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.52 -50.75 70.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.943 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.95 -35.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.114 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 4.2 ttpp -59.48 -50.84 72.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.405 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.26 -32.5 73.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.994 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.53 88.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.763 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.32 -40.39 93.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -39.01 92.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.619 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 25.0 tt0 -68.99 -35.74 77.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 645' ' ' LYS . 0.8 OUTLIER -68.73 -38.72 80.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.803 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.77 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.486 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.43 72.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.238 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -67.43 -33.57 75.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.892 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.627 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 7.0 mttt -64.43 -45.84 85.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.767 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -65.96 -47.7 73.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.553 ' HA ' ' HD3' ' A' ' 650' ' ' ARG . 15.1 tt -65.21 -37.88 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.127 0.489 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.25 -43.44 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.637 ' HA ' ' HG3' ' A' ' 652' ' ' GLN . 6.0 tt -62.11 -39.12 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.553 ' HD3' ' HA ' ' A' ' 647' ' ' ILE . 1.0 OUTLIER -59.93 -40.95 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.758 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.6 HD22 ' HG2' ' B' ' 652' ' ' GLN . 21.9 tp -65.62 -37.09 85.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.637 ' HG3' ' HA ' ' A' ' 649' ' ' LEU . 0.7 OUTLIER -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.157 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -41.16 91.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.315 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.487 ' O ' HG13 ' A' ' 658' ' ' ILE . 3.0 tp10 -67.52 -40.38 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.518 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' ' 658' ' ' ILE . 53.7 t -59.04 -46.22 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.14 -35.58 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.722 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.53 ' CG2' HD13 ' B' ' 662' ' ' LEU . 3.2 mt -66.25 -36.17 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.649 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.4 ' HG2' HG12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -66.89 -38.77 86.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.831 0.348 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.62 -53.47 54.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.305 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.536 HD13 ' CG2' ' C' ' 658' ' ' ILE . 0.4 OUTLIER -64.47 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -32.1 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' B' ' 609' ' ' VAL . 23.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.91 79.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.97 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.862 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.19 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 605' ' ' SER . 62.5 t -62.95 -48.95 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.19 -38.43 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.186 0.517 . . . . 0.0 111.778 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.28 -42.83 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.441 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 616' ' ' VAL . 9.9 tp -67.55 -39.63 84.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.787 0.327 . . . . 0.0 111.091 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.413 ' HD2' HD13 ' A' ' 612' ' ' LEU . 2.9 tpt180 -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 13.2 p -63.52 -41.88 98.49 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.697 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -37.77 78.32 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.983 0.421 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 612' ' ' LEU . 88.7 t -67.09 -50.11 66.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -48.08 83.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.294 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -37.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.978 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.754 ' O ' HD12 ' B' ' 623' ' ' ILE . 53.2 tp -63.46 -40.18 96.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.647 ' HD2' HD13 ' A' ' 619' ' ' LEU . 0.7 OUTLIER -61.66 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -39.31 94.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' B' ' 619' ' ' LEU . 11.6 mt -70.14 -37.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.616 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.754 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.1 mp -61.69 -48.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.7 -33.95 74.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.256 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 625' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 3.1 m -72.22 -43.59 64.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.009 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.421 ' HG3' ' HE3' ' C' ' 627' ' ' LYS . 5.6 ttm -63.13 -35.47 80.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 1.0 OUTLIER -65.82 -50.93 62.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -28.03 65.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.069 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' B' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.1 76.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 12.2 pt20 -70.15 -33.96 72.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -65.73 -38.29 88.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -72.25 -39.72 68.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.969 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.66 -50.69 70.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 111.879 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.99 -35.87 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 4.3 ttpp -59.41 -50.86 72.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.27 -32.52 73.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.49 88.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.3 -40.42 93.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.05 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.793 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.605 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 25.0 tt0 -68.93 -35.71 77.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' B' ' 645' ' ' LYS . 0.8 OUTLIER -68.8 -38.76 80.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.758 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -29.71 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -69.56 -43.47 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.872 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.619 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 6.9 mttt -64.43 -45.78 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.0 -47.72 73.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.176 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.566 ' HA ' ' HD3' ' B' ' 650' ' ' ARG . 15.2 tt -65.24 -37.91 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.092 0.472 . . . . 0.0 111.144 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.15 -43.51 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.655 ' HA ' ' HG3' ' B' ' 652' ' ' GLN . 5.9 tt -62.06 -39.04 91.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.77 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.566 ' HD3' ' HA ' ' B' ' 647' ' ' ILE . 1.0 OUTLIER -60.04 -40.95 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' C' ' 652' ' ' GLN . 22.1 tp -65.68 -37.1 85.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.655 ' HG3' ' HA ' ' B' ' 649' ' ' LEU . 0.7 OUTLIER -58.25 -44.53 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.151 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -41.22 91.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 658' ' ' ILE . 3.0 tp10 -67.38 -40.51 85.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.468 ' HA ' HD12 ' B' ' 658' ' ' ILE . 54.3 t -58.92 -46.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.21 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.12 -35.61 77.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.22 -42.56 98.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.529 ' CG2' HD13 ' C' ' 662' ' ' LEU . 3.2 mt -66.16 -36.2 76.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.591 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -38.69 86.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.852 0.358 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.64 -53.55 52.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.08 79.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.39 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.53 HD13 ' CG2' ' A' ' 658' ' ' ILE . 0.4 OUTLIER -64.38 -33.89 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.78 -32.13 31.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.543 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.8 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.764 0.316 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -68.55 -41.89 79.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.99 91.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.16 91.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.398 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.543 HG23 ' O ' ' C' ' 605' ' ' SER . 62.6 t -62.87 -48.96 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.31 -38.27 79.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.201 0.524 . . . . 0.0 111.789 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.32 -42.9 92.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.452 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.707 ' O ' HG23 ' C' ' 616' ' ' VAL . 9.9 tp -67.52 -39.56 85.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' B' ' 612' ' ' LEU . 2.8 tpt180 -62.47 -43.57 98.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.039 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 13.2 p -63.56 -41.89 98.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.643 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -37.8 78.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.707 HG23 ' O ' ' C' ' 612' ' ' LEU . 89.1 t -67.07 -50.08 67.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.4 OUTLIER -60.87 -47.96 83.97 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.369 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -37.78 86.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.75 ' O ' HD12 ' C' ' 623' ' ' ILE . 53.3 tp -63.46 -40.11 96.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.662 ' HD2' HD13 ' B' ' 619' ' ' LEU . 0.7 OUTLIER -61.65 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -39.32 94.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.57 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' C' ' 619' ' ' LEU . 11.5 mt -70.16 -37.4 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.062 0.458 . . . . 0.0 111.643 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.75 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.1 mp -61.68 -48.94 86.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.65 -33.99 74.91 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 625' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 3.1 m -72.26 -43.61 64.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.426 ' HG3' ' HE3' ' A' ' 627' ' ' LYS . 5.6 ttm -63.01 -35.54 80.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 1.0 OUTLIER -65.77 -50.89 63.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 628' ' ' ASP . . . . . 0.401 ' HB3' HH21 ' C' ' 632' ' ' ARG . 0.5 OUTLIER -70.17 -27.92 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.104 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' C' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.18 76.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.787 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' C' ' 627' ' ' LYS . 12.2 pt20 -70.04 -34.05 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -65.72 -38.26 88.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 632' ' ' ARG . . . . . 0.401 HH21 ' HB3' ' C' ' 628' ' ' ASP . 29.5 mtt180 -72.21 -39.79 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.59 -50.71 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 0.0 111.904 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.96 -35.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.111 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 4.3 ttpp -59.39 -50.78 72.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.477 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.39 -32.48 73.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -44.57 88.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.17 -40.44 94.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -39.01 92.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.627 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 25.0 tt0 -68.98 -35.77 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' C' ' 645' ' ' LYS . 0.8 OUTLIER -68.71 -38.71 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.833 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.527 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.45 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.209 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.483 ' HA ' HG22 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -67.41 -33.62 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.85 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.605 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 7.0 mttt -64.47 -45.79 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.63 73.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.557 ' HA ' ' HD3' ' C' ' 650' ' ' ARG . 15.1 tt -65.19 -37.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.104 0.478 . . . . 0.0 111.294 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.31 -43.43 81.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.64 ' HA ' ' HG3' ' C' ' 652' ' ' GLN . 6.0 tt -62.13 -39.02 91.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.557 ' HD3' ' HA ' ' C' ' 647' ' ' ILE . 1.0 OUTLIER -60.05 -40.91 91.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.706 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.604 HD22 ' HG2' ' A' ' 652' ' ' GLN . 22.1 tp -65.63 -37.12 85.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.64 ' HG3' ' HA ' ' C' ' 649' ' ' LEU . 0.7 OUTLIER -58.28 -44.45 88.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.193 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -41.16 91.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.261 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.49 ' O ' HG13 ' C' ' 658' ' ' ILE . 3.0 tp10 -67.43 -40.47 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' C' ' 658' ' ' ILE . 54.0 t -58.99 -46.23 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.08 -35.6 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.35 -42.52 98.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.536 ' CG2' HD13 ' A' ' 662' ' ' LEU . 3.1 mt -66.13 -36.21 76.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.693 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.76 86.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.55 -53.48 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.94 78.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.295 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.529 HD13 ' CG2' ' B' ' 658' ' ' ILE . 0.4 OUTLIER -64.46 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -32.17 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 31.2 m -63.72 -41.9 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.442 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.732 0.301 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -24.43 59.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.54 98.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.95 88.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.47 -33.87 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.8 -43.54 98.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.153 0.501 . . . . 0.0 111.74 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -43.63 89.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.388 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.977 HD21 ' HA ' ' B' ' 613' ' ' ARG . 12.5 mt -59.59 -43.02 93.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.084 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.95 ' HA ' HD21 ' C' ' 612' ' ' LEU . 25.5 ttm180 -57.84 -35.76 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.56 81.37 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.653 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -29.96 65.03 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.765 HG21 HD22 ' C' ' 612' ' ' LEU . 73.8 t -66.77 -46.18 86.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.44 -45.66 89.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.513 ' O ' ' HB ' ' A' ' 622' ' ' ILE . 13.6 mt -63.95 -48.32 76.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.594 ' HA ' HD12 ' A' ' 623' ' ' ILE . 2.7 ttm180 -57.94 -51.2 70.6 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 65.2 p -61.17 -23.84 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.513 ' HB ' ' O ' ' A' ' 619' ' ' LEU . 2.1 mt -68.35 -50.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.043 0.449 . . . . 0.0 111.629 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -65.6 -36.52 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.25 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.13 -44.72 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.63 -43.32 94.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.004 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.578 ' SD ' HG22 ' B' ' 623' ' ' ILE . 39.5 mtt -67.69 -30.68 70.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.514 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 4.4 tmtm? -69.16 -42.74 75.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.12 -38.55 85.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.006 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.24 -44.14 92.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.795 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.44 HE21 ' HB2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -69.71 -35.7 75.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.003 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -44.9 93.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -43.83 97.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.533 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.4 mm-40 -61.51 -44.03 97.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 111.874 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.546 HG21 ' HB3' ' C' ' 633' ' ' GLU . 90.4 mt -64.33 -38.6 82.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.096 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.72 ' HA ' ' HE3' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.45 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.3 -38.12 89.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.616 HD23 HD12 ' B' ' 641' ' ' LEU . 0.4 OUTLIER -64.15 -42.83 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.14 -46.75 85.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.67 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.8 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.728 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -66.43 -40.29 89.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.9 OUTLIER -66.36 -38.19 87.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.75 179.612 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.93 -43.68 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.571 ' O ' HD12 ' A' ' 647' ' ' ILE . 31.6 tt0 -58.56 -47.21 85.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.265 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -59.24 -40.36 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.446 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 5.8 mttt -61.93 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mtmm -59.4 -47.06 86.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 643' ' ' GLU . 3.6 mt -67.28 -34.02 66.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 111.185 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.51 ' NH2' HD13 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -63.33 -42.56 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.059 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 646' ' ' LYS . 11.1 mt -57.53 -46.88 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.495 HH21 HG13 ' A' ' 647' ' ' ILE . 44.9 mtm-85 -60.11 -38.82 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.715 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.774 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.51 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 1.5 tt0 -61.4 -38.68 87.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.93 -37.38 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 111.324 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 658' ' ' ILE . 0.6 OUTLIER -63.97 -41.13 97.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.531 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 651' ' ' LEU . 1.5 t -71.13 -39.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.028 0.442 . . . . 0.0 111.217 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -65.98 -37.69 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.12 -47.17 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' B' ' 659' ' ' LYS . 8.7 tt -68.95 -31.04 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.701 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.591 ' HA ' HD12 ' C' ' 658' ' ' ILE . 10.2 tptt -64.19 -47.11 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.23 -42.95 92.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.16 79.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.354 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.565 HD22 HG13 ' C' ' 658' ' ' ILE . 0.8 OUTLIER -63.02 -42.61 99.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.567 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -20.97 37.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.96 -24.45 59.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.51 98.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.02 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.367 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.42 -33.88 66.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.611 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.68 -43.6 98.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.208 0.528 . . . . 0.0 111.788 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -43.48 89.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.523 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.965 HD21 ' HA ' ' C' ' 613' ' ' ARG . 12.5 mt -59.66 -43.04 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.977 ' HA ' HD21 ' A' ' 612' ' ' LEU . 25.4 ttm180 -57.88 -35.74 71.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.97 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -42.47 81.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.649 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.75 -30.02 65.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.759 HG21 HD22 ' A' ' 612' ' ' LEU . 74.1 t -66.77 -46.3 85.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -45.61 90.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.35 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -29.76 70.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' B' ' 622' ' ' ILE . 13.6 mt -63.97 -48.35 76.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' B' ' 623' ' ' ILE . 2.7 ttm180 -57.85 -51.35 69.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 65.3 p -61.11 -23.77 65.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.671 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' B' ' 619' ' ' LEU . 2.1 mt -68.35 -50.67 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.594 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.66 -36.49 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.224 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.11 -44.77 91.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.042 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.566 ' SD ' HG22 ' C' ' 623' ' ' ILE . 39.5 mtt -67.62 -30.7 70.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.514 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 4.4 tmtm? -69.13 -42.71 75.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.15 -38.55 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -64.33 -44.03 92.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.749 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.418 ' HB2' HE21 ' B' ' 630' ' ' GLN . 0.0 OUTLIER -69.76 -35.72 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.921 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -44.84 93.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -43.86 97.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.017 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.537 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.4 mm-40 -61.5 -44.06 97.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.047 0.451 . . . . 0.0 111.873 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.544 HG23 HD12 ' A' ' 637' ' ' LEU . 90.4 mt -64.27 -38.67 83.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.72 ' HA ' ' HE3' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -62.13 -46.47 88.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.924 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.599 HD23 HD12 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.14 -42.93 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.714 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.1 -46.75 85.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 50.8 p -63.59 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.718 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.081 0.467 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.9 OUTLIER -66.26 -38.32 87.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.766 179.539 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.9 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.515 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.582 ' O ' HD12 ' B' ' 647' ' ' ILE . 31.9 tt0 -58.65 -47.21 85.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.207 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.433 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -59.16 -40.39 85.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.906 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.449 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 5.8 mttt -61.97 -42.95 99.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 19.6 mtmm -59.31 -47.06 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.242 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.582 HD12 ' O ' ' B' ' 643' ' ' GLU . 3.6 mt -67.38 -33.87 65.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.063 0.459 . . . . 0.0 111.169 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.502 ' NH2' HD13 ' A' ' 647' ' ' ILE . 0.8 OUTLIER -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' B' ' 646' ' ' LYS . 11.2 mt -57.45 -46.95 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.488 HH21 HG13 ' B' ' 647' ' ' ILE . 44.8 mtm-85 -60.07 -38.9 84.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.769 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.2 -45.1 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.492 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.5 tt0 -61.44 -38.65 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.134 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.98 -37.34 84.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.288 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.448 ' O ' HG22 ' B' ' 658' ' ' ILE . 0.6 OUTLIER -63.95 -41.21 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.549 179.564 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 651' ' ' LEU . 1.5 t -70.99 -39.1 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.174 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -65.97 -37.67 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.14 -47.04 69.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' C' ' 659' ' ' LYS . 8.7 tt -69.02 -31.04 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.658 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 658' ' ' ILE . 10.2 tptt -64.23 -47.06 81.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.26 -42.85 92.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.11 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.389 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.554 HD22 HG13 ' A' ' 658' ' ' ILE . 0.8 OUTLIER -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -21.04 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.85 -24.53 59.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.48 98.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.95 88.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.45 -33.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.64 -43.67 98.22 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.101 0.477 . . . . 0.0 111.753 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -43.6 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.426 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.95 HD21 ' HA ' ' A' ' 613' ' ' ARG . 12.5 mt -59.69 -42.99 94.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.965 ' HA ' HD21 ' B' ' 612' ' ' LEU . 25.5 ttm180 -57.85 -35.76 71.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.024 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.54 81.38 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.646 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.76 -30.01 65.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.142 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 612' ' ' LEU . 73.9 t -66.7 -46.31 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.184 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.25 -45.74 90.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.3 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -29.75 70.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.499 ' O ' ' HB ' ' C' ' 622' ' ' ILE . 13.6 mt -63.98 -48.34 76.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.008 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.602 ' HA ' HD12 ' C' ' 623' ' ' ILE . 2.8 ttm180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 65.1 p -61.15 -23.85 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' C' ' 619' ' ' LEU . 2.2 mt -68.26 -50.68 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.655 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.58 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.249 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.15 -44.71 91.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 8.8 p -64.6 -43.32 94.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.037 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.573 ' SD ' HG22 ' A' ' 623' ' ' ILE . 39.5 mtt -67.69 -30.62 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.507 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 4.4 tmtm? -69.22 -42.69 75.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.1 -38.55 85.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -64.31 -44.08 92.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.79 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.473 HE21 ' HB2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -69.74 -35.72 75.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -44.8 93.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.011 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.546 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.4 mm-40 -61.47 -44.06 97.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.901 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.546 HG23 HD12 ' B' ' 637' ' ' LEU . 90.5 mt -64.3 -38.58 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.101 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.722 ' HA ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -62.12 -46.52 88.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -179.548 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.32 -38.06 89.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.627 HD23 HD12 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.2 -42.82 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.16 -46.67 86.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.151 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.72 -32.19 73.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.737 ' HB3' HD13 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.39 89.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.016 0.436 . . . . 0.0 110.839 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.9 OUTLIER -66.27 -38.24 87.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.86 -43.69 98.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.513 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.575 ' O ' HD12 ' C' ' 647' ' ' ILE . 31.7 tt0 -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.446 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -59.21 -40.43 85.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.932 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 5.8 mttt -61.94 -42.96 99.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.717 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 19.6 mtmm -59.21 -47.18 86.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.575 HD12 ' O ' ' C' ' 643' ' ' GLU . 3.6 mt -67.21 -33.96 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.101 0.476 . . . . 0.0 111.248 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.506 ' NH2' HD13 ' B' ' 647' ' ' ILE . 0.8 OUTLIER -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' C' ' 646' ' ' LYS . 11.3 mt -57.58 -46.89 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.691 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.491 HH21 HG13 ' C' ' 647' ' ' ILE . 44.7 mtm-85 -60.02 -38.87 83.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.763 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.19 -45.11 95.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.505 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.5 tt0 -61.38 -38.66 87.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.197 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -67.03 -37.33 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.219 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.446 ' O ' HG22 ' C' ' 658' ' ' ILE . 0.6 OUTLIER -64.02 -41.07 97.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.532 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.763 HG23 ' O ' ' C' ' 651' ' ' LEU . 1.5 t -71.13 -39.07 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 111.166 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.02 -37.64 86.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.16 -47.14 68.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.724 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 659' ' ' LYS . 8.7 tt -68.93 -31.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.652 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.589 ' HA ' HD12 ' B' ' 658' ' ' ILE . 10.2 tptt -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.852 0.358 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.24 -42.82 91.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.27 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.305 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.568 HD22 HG13 ' B' ' 658' ' ' ILE . 0.8 OUTLIER -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.606 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -21.0 37.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.3 m -71.19 -41.4 70.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.873 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.728 0.299 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.42 -25.1 54.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.07 86.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.95 -35.07 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.436 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.83 -42.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.0 -44.21 97.2 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 111.799 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -44.38 86.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.485 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.89 HD21 ' HA ' ' B' ' 613' ' ' ARG . 8.5 mt -64.57 -39.3 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.873 ' HA ' HD21 ' C' ' 612' ' ' LEU . 24.9 ttm180 -59.09 -41.39 87.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -43.36 97.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.619 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.784 ' O ' HD12 ' A' ' 619' ' ' LEU . 5.1 tt0 -69.77 -36.22 75.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.051 0.453 . . . . 0.0 111.208 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 612' ' ' LEU . 84.8 t -64.27 -50.03 78.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.92 93.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.31 -38.32 84.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.017 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 615' ' ' GLN . 0.2 OUTLIER -58.11 -46.98 84.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.028 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.522 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.77 79.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -36.19 75.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.55 -42.57 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.556 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 620' ' ' ARG . 9.5 mt -64.77 -36.62 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.197 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.53 -52.78 59.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.272 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.04 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.711 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 27.7 mtt -56.55 -41.6 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.691 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 2.2 tmtm? -65.8 -40.74 92.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -64.89 -39.4 93.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.426 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.99 -43.55 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.423 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -61.16 -43.54 98.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -41.08 98.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.992 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.5 mt-10 -66.05 -41.35 90.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 0.0 111.853 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' C' ' 633' ' ' GLU . 16.2 mt -62.05 -48.06 90.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.139 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.16 -44.71 83.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.459 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -60.32 -44.68 95.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.004 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.511 HD11 ' HG ' ' B' ' 638' ' ' LEU . 0.3 OUTLIER -60.1 -42.26 94.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' C' ' 637' ' ' LEU . 10.5 mt -61.71 -47.82 83.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.076 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.28 -38.31 79.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -43.25 85.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.006 0.431 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.489 ' N ' HD11 ' B' ' 641' ' ' LEU . 4.5 tt -61.08 -41.87 97.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.786 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -35.35 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.474 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 647' ' ' ILE . 20.2 tt0 -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.199 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.409 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -33.99 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.526 ' O ' ' HG ' ' A' ' 649' ' ' LEU . 9.1 mttt -65.44 -37.15 86.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 649' ' ' LEU . 8.7 mtmm -65.95 -51.04 62.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 643' ' ' GLU . 3.6 mt -60.88 -43.16 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 648' ' ' ARG . 3.3 tmm_? -61.47 -34.83 76.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.054 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 645' ' ' LYS . 47.6 mt -61.69 -45.01 95.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.53 -33.99 77.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.667 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.29 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.22 -36.96 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 12.1 mtm -61.67 -44.73 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.271 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.42 -44.2 95.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.6 t -61.67 -43.54 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -35.35 80.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.79 -48.65 68.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.665 HG13 HD13 ' B' ' 662' ' ' LEU . 10.7 tt -67.19 -30.11 48.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.646 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' C' ' 658' ' ' ILE . 19.8 tptt -70.69 -38.7 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.59 81.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.22 81.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.667 HD13 HG13 ' C' ' 658' ' ' ILE . 2.6 tt -59.73 -35.48 74.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.21 -23.06 47.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.033 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -25.05 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.12 86.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.96 -35.06 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.85 -42.16 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.01 -44.12 97.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.12 0.485 . . . . 0.0 111.842 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -44.46 86.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.468 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.886 HD21 ' HA ' ' C' ' 613' ' ' ARG . 8.5 mt -64.51 -39.35 93.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.89 ' HA ' HD21 ' A' ' 612' ' ' LEU . 24.8 ttm180 -59.07 -41.41 87.91 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -43.38 97.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.643 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.761 ' O ' HD12 ' B' ' 619' ' ' LEU . 5.1 tt0 -69.68 -36.24 75.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.081 0.467 . . . . 0.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.683 HG23 ' O ' ' B' ' 612' ' ' LEU . 85.0 t -64.25 -50.0 78.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.9 92.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.32 -38.4 84.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.761 HD12 ' O ' ' B' ' 615' ' ' GLN . 0.2 OUTLIER -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.525 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.7 79.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -36.1 75.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.6 -42.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.585 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' B' ' 620' ' ' ARG . 9.6 mt -64.82 -36.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.197 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.67 -52.63 59.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.91 81.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.978 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.704 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 27.7 mtt -56.7 -41.57 77.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.711 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 2.2 tmtm? -65.83 -40.74 92.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.82 -39.45 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -47.68 78.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HG3' ' HE3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -64.02 -43.53 95.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.76 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.426 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -61.1 -43.63 98.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -41.1 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.5 mt-10 -65.97 -41.32 91.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 111.906 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 633' ' ' GLU . 16.1 mt -62.16 -48.07 90.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.025 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.17 -44.65 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.451 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -60.38 -44.66 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' C' ' 638' ' ' LEU . 0.3 OUTLIER -60.05 -42.26 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 637' ' ' LEU . 10.4 mt -61.73 -47.78 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 13.1 p -59.31 -38.24 79.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.775 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -43.24 85.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 641' ' ' LEU . 4.5 tt -61.2 -41.76 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.755 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.47 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.44 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.515 ' O ' HD12 ' B' ' 647' ' ' ILE . 20.0 tt0 -64.32 -43.81 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.249 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.417 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.78 -34.17 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' B' ' 649' ' ' LEU . 9.1 mttt -65.27 -37.15 86.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.492 ' HA ' HD12 ' B' ' 649' ' ' LEU . 8.7 mtmm -66.04 -50.94 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.515 HD12 ' O ' ' B' ' 643' ' ' GLU . 3.6 mt -60.97 -43.15 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 111.196 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -61.43 -34.87 76.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 645' ' ' LYS . 47.4 mt -61.61 -45.07 95.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.45 -34.06 77.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.673 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.27 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.08 -36.99 84.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.178 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.63 -44.76 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.262 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.2 95.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 651' ' ' LEU . 42.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -35.37 80.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.76 68.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.66 HG13 HD13 ' C' ' 662' ' ' LEU . 10.8 tt -67.1 -30.16 48.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.678 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 658' ' ' ILE . 19.8 tptt -70.65 -38.66 73.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -46.59 81.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.29 81.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.665 HD13 HG13 ' A' ' 658' ' ' ILE . 2.7 tt -59.72 -35.43 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.26 -23.08 47.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.736 0.303 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -25.15 54.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.18 86.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.13 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.467 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.77 -42.05 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.13 -44.15 97.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.176 0.513 . . . . 0.0 111.733 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -44.42 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' A' ' 613' ' ' ARG . 8.4 mt -64.62 -39.35 93.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.021 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.886 ' HA ' HD21 ' B' ' 612' ' ' LEU . 24.8 ttm180 -59.06 -41.37 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -43.28 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.784 ' O ' HD12 ' C' ' 619' ' ' LEU . 5.1 tt0 -69.8 -36.22 75.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.042 0.448 . . . . 0.0 111.191 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.694 HG23 ' O ' ' C' ' 612' ' ' LEU . 84.8 t -64.32 -50.05 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -38.94 92.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.24 -38.47 85.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.784 HD12 ' O ' ' C' ' 615' ' ' GLN . 0.2 OUTLIER -58.07 -47.03 84.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.526 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -56.34 -43.8 79.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.12 75.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.56 -42.6 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 111.609 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 9.6 mt -64.82 -36.6 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.201 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.57 -52.74 59.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -47.98 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.691 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 27.7 mtt -56.61 -41.62 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.704 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 2.2 tmtm? -65.76 -40.84 92.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.056 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.76 -39.42 93.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -47.57 78.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.425 HE22 ' HG2' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -64.07 -43.52 95.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.419 ' HE3' ' HG3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -61.11 -43.55 98.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -41.08 97.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.022 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.512 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.5 mt-10 -66.09 -41.27 90.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.065 0.46 . . . . 0.0 111.904 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' B' ' 633' ' ' GLU . 16.2 mt -62.09 -48.1 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.15 -44.68 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.4 -44.65 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' A' ' 638' ' ' LEU . 0.3 OUTLIER -60.03 -42.27 94.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 179.606 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' B' ' 637' ' ' LEU . 10.5 mt -61.73 -47.77 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.32 -38.29 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.763 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -43.3 85.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.488 HD11 ' N ' ' B' ' 641' ' ' LEU . 4.5 tt -61.12 -41.8 97.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.778 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.4 80.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.502 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.516 ' O ' HD12 ' C' ' 647' ' ' ILE . 20.1 tt0 -64.34 -43.87 93.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.153 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.415 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.75 -34.19 76.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.89 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.528 ' O ' ' HG ' ' C' ' 649' ' ' LEU . 9.1 mttt -65.3 -37.15 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.488 ' HA ' HD12 ' C' ' 649' ' ' LEU . 8.7 mtmm -66.01 -50.94 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.246 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.516 HD12 ' O ' ' C' ' 643' ' ' GLU . 3.6 mt -60.92 -43.21 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.072 0.463 . . . . 0.0 111.215 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.3 tmm_? -61.44 -34.8 76.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' C' ' 645' ' ' LYS . 47.4 mt -61.69 -44.99 95.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.46 -34.06 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.66 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.25 -43.13 99.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.17 -36.98 84.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.55 -44.79 96.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.337 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.16 95.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.66 HG23 ' O ' ' C' ' 651' ' ' LEU . 42.5 t -61.67 -43.51 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.28 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -35.37 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.81 68.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.667 HG13 HD13 ' A' ' 662' ' ' LEU . 10.8 tt -67.03 -30.17 48.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.695 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' B' ' 658' ' ' ILE . 19.8 tptt -70.66 -38.67 73.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.68 81.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.21 -46.19 81.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.326 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.66 HD13 HG13 ' B' ' 658' ' ' ILE . 2.6 tt -59.84 -35.37 74.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.522 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.27 -23.1 47.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.6 m -74.02 -36.79 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.102 -0.952 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -33.04 73.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.035 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.96 88.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.04 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.419 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.39 -37.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.71 -51.14 70.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.739 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -45.99 74.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.501 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' B' ' 613' ' ' ARG . 4.5 mt -61.38 -38.27 86.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.097 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.776 ' HA ' HD21 ' C' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.89 85.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.04 88.13 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.646 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.42 -35.64 79.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.999 0.428 . . . . 0.0 111.17 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.732 HG21 HD22 ' C' ' 612' ' ' LEU . 93.3 t -66.53 -47.96 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.6 -41.59 98.3 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.34 -28.48 66.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.856 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -63.56 -40.67 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.623 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.4 OUTLIER -63.21 -38.14 89.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.89 72.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 619' ' ' LEU . 59.0 mt -63.13 -48.18 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.591 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.612 HD11 HD23 ' C' ' 619' ' ' LEU . 2.3 mt -64.0 -37.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.248 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.82 -44.93 88.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 39.1 p -68.76 -48.24 64.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.981 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.426 ' SD ' HG22 ' B' ' 623' ' ' ILE . 3.0 mtt -57.67 -39.72 77.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.92 -36.27 81.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.068 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.18 -43.39 70.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.808 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -33.26 74.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.81 97.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.977 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.508 ' HB3' HG21 ' B' ' 634' ' ' ILE . 5.6 mm-40 -63.79 -47.4 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.044 0.449 . . . . 0.0 111.89 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' C' ' 633' ' ' GLU . 9.9 mt -57.21 -47.1 84.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.113 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.402 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.26 -35.47 79.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.521 HD21 ' HG ' ' B' ' 638' ' ' LEU . 2.2 mt -68.99 -42.39 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.744 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.519 ' HG ' HD21 ' C' ' 637' ' ' LEU . 1.2 mt -61.28 -42.6 98.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.2 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.59 -37.5 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -46.49 88.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -61.97 -40.68 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.739 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 642' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' A' ' 646' ' ' LYS . 0.1 OUTLIER -59.23 -45.56 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.49 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 647' ' ' ILE . 1.3 tt0 -62.53 -37.98 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.216 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.95 92.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.52 -35.47 81.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.574 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 10.2 mtmm -63.06 -57.78 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.275 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 643' ' ' GLU . 2.9 mp -62.29 -34.59 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 0.0 111.157 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -44.0 85.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.033 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.88 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.713 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.86 -29.39 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.699 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.639 HD22 HD22 ' B' ' 651' ' ' LEU . 0.3 OUTLIER -64.47 -48.67 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -37.74 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mtt -64.93 -36.66 85.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.265 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.416 ' HB3' HG11 ' B' ' 655' ' ' VAL . 7.0 tt0 -66.29 -47.36 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.511 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.5 t -59.83 -38.62 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.203 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.54 -49.33 73.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.727 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' B' ' 659' ' ' LYS . 16.3 tt -67.23 -32.55 58.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.662 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' C' ' 658' ' ' ILE . 2.6 tptt -60.79 -49.6 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.861 0.362 . . . . 0.0 111.088 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.54 -42.35 78.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.43 75.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.387 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.485 HD12 HD12 ' B' ' 662' ' ' LEU . 0.8 OUTLIER -69.98 -35.87 74.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -86.8 -16.69 35.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.735 0.302 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.97 72.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.97 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.16 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.417 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.32 -37.66 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.569 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.58 -51.18 70.49 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.183 0.516 . . . . 0.0 111.771 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -45.88 75.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.485 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' C' ' 613' ' ' ARG . 4.5 mt -61.4 -38.27 86.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.796 0.331 . . . . 0.0 111.087 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.773 ' HA ' HD21 ' A' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.83 85.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -44.96 88.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.617 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.46 -35.57 79.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.718 HG21 HD22 ' A' ' 612' ' ' LEU . 93.8 t -66.57 -47.91 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.74 -41.5 98.02 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.331 -179.736 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.28 -28.52 66.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -63.67 -40.57 97.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.597 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.4 OUTLIER -63.2 -38.16 90.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.93 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' B' ' 619' ' ' LEU . 59.1 mt -63.1 -48.17 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.584 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.599 HD11 HD23 ' A' ' 619' ' ' LEU . 2.3 mt -64.02 -37.83 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.159 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.79 -45.0 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 39.0 p -68.7 -48.32 64.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.968 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.424 ' SD ' HG22 ' C' ' 623' ' ' ILE . 3.0 mtt -57.53 -39.84 77.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' B' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.33 77.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.98 -36.24 81.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.078 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.16 -43.34 71.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -33.29 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.8 97.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.998 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' C' ' 634' ' ' ILE . 5.5 mm-40 -63.83 -47.32 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 633' ' ' GLU . 9.8 mt -57.25 -47.08 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.138 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.402 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.18 -35.49 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' C' ' 638' ' ' LEU . 2.2 mt -69.01 -42.34 76.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.521 ' HG ' HD21 ' A' ' 637' ' ' LEU . 1.2 mt -61.27 -42.71 99.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.107 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.4 -37.62 87.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -46.44 89.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.03 -40.68 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.766 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 642' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' B' ' 646' ' ' LYS . 0.1 OUTLIER -59.22 -45.55 90.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.507 -179.353 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.591 ' O ' HD12 ' B' ' 647' ' ' ILE . 1.3 tt0 -62.47 -38.04 88.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.264 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -39.0 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -64.58 -35.38 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.7 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 10.2 mtmm -63.25 -57.68 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.591 HD12 ' O ' ' B' ' 643' ' ' GLU . 2.9 mp -62.25 -34.67 65.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.969 0.414 . . . . 0.0 111.156 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -43.98 85.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.89 91.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -63.87 -29.43 70.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.639 HD22 HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.38 -48.71 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.756 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -37.84 76.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.18 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.4 mtt -64.86 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.335 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.404 ' HB3' HG11 ' C' ' 655' ' ' VAL . 7.0 tt0 -66.35 -47.31 73.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.493 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.6 t -59.91 -38.54 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -69.95 -37.39 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.56 -49.19 74.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' C' ' 659' ' ' LYS . 16.3 tt -67.36 -32.48 57.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 658' ' ' ILE . 2.6 tptt -60.85 -49.57 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.55 -42.32 78.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.956 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.54 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.377 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.485 HD12 HD12 ' A' ' 662' ' ' LEU . 0.8 OUTLIER -70.05 -35.85 74.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.571 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -86.87 -16.58 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.695 0.284 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -33.0 73.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.97 88.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.16 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.471 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.36 -37.56 80.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.549 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.66 -51.12 70.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 111.738 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -45.97 75.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.484 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' A' ' 613' ' ' ARG . 4.5 mt -61.35 -38.35 86.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.089 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.799 ' HA ' HD21 ' B' ' 612' ' ' LEU . 20.1 ttm180 -59.48 -39.88 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.031 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -45.05 87.97 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.619 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.41 -35.63 79.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.03 0.443 . . . . 0.0 111.171 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.719 HG21 HD22 ' B' ' 612' ' ' LEU . 93.2 t -66.61 -47.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -41.56 98.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.36 -28.44 66.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.872 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -63.62 -40.69 97.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.615 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.4 OUTLIER -63.08 -38.26 90.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -31.93 72.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' C' ' 619' ' ' LEU . 59.0 mt -63.16 -48.11 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.615 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.612 HD11 HD23 ' B' ' 619' ' ' LEU . 2.3 mt -64.0 -37.81 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.22 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -64.8 -44.92 88.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.257 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 38.8 p -68.77 -48.29 64.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.423 ' SD ' HG22 ' C' ' 622' ' ' ILE . 3.0 mtt -57.57 -39.8 77.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.0 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.9 -36.27 81.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.19 -43.36 70.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -33.26 74.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -42.92 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.013 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.506 ' HB3' HG21 ' A' ' 634' ' ' ILE . 5.5 mm-40 -63.91 -47.27 81.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 0.0 111.872 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' B' ' 633' ' ' GLU . 9.9 mt -57.31 -47.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.07 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -43.47 98.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.467 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.21 -35.46 78.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.519 HD21 ' HG ' ' A' ' 638' ' ' LEU . 2.2 mt -69.05 -42.4 76.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.711 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.504 ' HG ' HD21 ' B' ' 637' ' ' LEU . 1.2 mt -61.26 -42.67 99.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.163 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.47 -37.51 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -46.51 88.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.558 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.02 -40.53 96.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.772 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 642' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' C' ' 646' ' ' LYS . 0.1 OUTLIER -59.38 -45.5 91.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.476 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.59 ' O ' HD12 ' C' ' 647' ' ' ILE . 1.3 tt0 -62.56 -37.97 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.205 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.96 92.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.49 -35.47 81.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.779 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 10.2 mtmm -63.26 -57.62 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.59 HD12 ' O ' ' C' ' 643' ' ' GLU . 2.9 mp -62.26 -34.71 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -43.96 85.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.83 91.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.95 -29.35 70.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.46 -48.68 74.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.758 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -37.76 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.5 mtt -64.9 -36.7 85.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.404 ' HB3' HG11 ' A' ' 655' ' ' VAL . 7.0 tt0 -66.26 -47.39 73.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.507 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.6 t -59.86 -38.56 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.193 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -69.83 -37.48 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.48 -49.26 74.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 659' ' ' LYS . 16.3 tt -67.34 -32.5 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.531 ' HA ' HD12 ' B' ' 658' ' ' ILE . 2.6 tptt -60.88 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.48 -42.47 78.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.44 75.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.337 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.482 HD12 HD12 ' B' ' 662' ' ' LEU . 0.8 OUTLIER -69.97 -35.97 74.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.536 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -86.81 -16.67 35.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -51.53 24.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.992 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.67 -35.65 81.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.66 -34.73 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.73 81.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.428 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.86 -31.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -48.2 80.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.143 0.497 . . . . 0.0 111.743 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -60.18 -39.51 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.444 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' B' ' 613' ' ' ARG . 3.0 mt -64.34 -37.52 87.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.081 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.651 ' HA ' HD21 ' C' ' 612' ' ' LEU . 10.8 ttm180 -64.4 -37.04 86.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.997 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.52 69.03 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.7 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.438 ' HG2' ' CG1' ' B' ' 616' ' ' VAL . 3.0 tt0 -63.73 -38.38 90.88 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.189 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 612' ' ' LEU . 75.8 t -66.66 -45.22 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -49.98 75.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.366 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.638 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.1 mt-10 -65.48 -29.26 69.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.551 ' HB3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -61.07 -50.2 74.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.01 76.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.986 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.605 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 618' ' ' GLU . 96.8 mt -62.43 -49.55 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.631 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.529 HG22 ' SD ' ' C' ' 626' ' ' MET . 5.4 mt -62.52 -35.3 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.41 -45.73 75.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.0 p -68.32 -43.09 78.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.57 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 54.3 mtt -65.3 -36.21 83.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.571 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.19 99.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.64 -34.21 76.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.05 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.55 -46.75 75.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.452 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.0 OUTLIER -66.56 -36.6 83.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.585 ' HA ' HD12 ' A' ' 634' ' ' ILE . 2.5 mmpt? -65.42 -41.53 93.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.06 93.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.992 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.596 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.3 mm-40 -62.46 -39.69 94.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 111.823 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.597 HG21 ' HB3' ' C' ' 633' ' ' GLU . 32.4 mt -62.66 -40.57 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.058 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.489 ' HE3' ' N ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -61.58 -41.43 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 -179.494 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.46 -38.19 90.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.005 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' B' ' 638' ' ' LEU . 14.2 mt -67.95 -41.84 81.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.577 ' HG ' HD21 ' C' ' 637' ' ' LEU . 4.3 mt -63.1 -41.95 99.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.91 93.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -40.37 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.023 0.44 . . . . 0.0 110.908 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.503 ' HA ' HD21 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -66.78 -42.92 85.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.807 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -40.15 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.414 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.12 -32.46 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.275 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.682 ' HG2' ' HD3' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.74 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.879 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.669 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 3.6 mmtt -71.03 -37.86 72.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.694 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 10.2 mtmm -64.2 -50.05 69.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.0 mt -64.16 -38.94 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 121.04 0.448 . . . . 0.0 111.16 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.615 ' HD3' ' HA ' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.8 -45.88 92.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -41.53 80.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 2.5 mtm-85 -60.86 -33.69 73.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.702 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -63.46 -49.21 74.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.512 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 0.2 OUTLIER -61.75 -39.04 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.163 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.78 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.304 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.28 -43.84 96.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.52 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 651' ' ' LEU . 46.2 t -57.49 -46.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 656' ' ' ASN . . . . . 0.4 ' O ' ' HD2' ' A' ' 660' ' ' LYS . 58.1 m-20 -63.31 -29.22 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.6 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.774 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.639 ' CG1' HD13 ' B' ' 662' ' ' LEU . 5.6 tt -64.51 -26.82 41.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.656 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.539 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 5.4 tptt -69.1 -40.74 78.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 656' ' ' ASN . 0.1 OUTLIER -62.32 -41.62 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.932 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.81 69.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.303 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.79 85.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -83.58 -20.55 33.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.723 0.297 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.54 -35.7 81.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.64 74.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.8 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.85 -31.63 51.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -48.07 81.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.159 0.504 . . . . 0.0 111.839 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -60.32 -39.47 87.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 179.414 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.634 HD21 ' HA ' ' C' ' 613' ' ' ARG . 3.0 mt -64.26 -37.54 87.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.647 ' HA ' HD21 ' A' ' 612' ' ' LEU . 10.8 ttm180 -64.4 -37.03 86.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.56 68.9 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.634 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.441 ' HG2' ' CG1' ' C' ' 616' ' ' VAL . 3.0 tt0 -63.74 -38.43 91.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 612' ' ' LEU . 75.5 t -66.63 -45.11 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -50.01 75.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.313 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.633 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.1 mt-10 -65.43 -29.29 69.96 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.945 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -61.14 -50.11 74.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.802 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -39.02 76.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 28.9 t -67.49 -32.89 74.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 618' ' ' GLU . 96.8 mt -62.45 -49.51 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.598 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.522 HG22 ' SD ' ' A' ' 626' ' ' MET . 5.5 mt -62.54 -35.44 70.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.164 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.29 -45.78 75.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 14.9 p -68.26 -43.11 78.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.999 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.573 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 54.2 mtt -65.21 -36.21 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.57 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.29 99.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.63 -34.16 76.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.56 -46.77 74.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.804 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.46 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.0 OUTLIER -66.57 -36.63 83.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.752 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' B' ' 634' ' ' ILE . 2.5 mmpt? -65.46 -41.44 93.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.07 93.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.964 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.589 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.3 mm-40 -62.42 -39.66 94.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.075 0.464 . . . . 0.0 111.881 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.596 HG21 ' HB3' ' A' ' 633' ' ' GLU . 32.9 mt -62.77 -40.57 89.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 -179.551 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.574 HD21 ' HG ' ' C' ' 638' ' ' LEU . 14.2 mt -67.9 -41.81 82.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.73 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.548 ' HG ' HD21 ' A' ' 637' ' ' LEU . 4.3 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -43.96 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.752 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -40.38 95.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 641' ' ' LEU . 1.0 OUTLIER -66.84 -42.88 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.777 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.44 -40.15 95.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.494 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.15 -32.47 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.226 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.679 ' HG2' ' HD3' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -70.67 -32.72 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.893 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.682 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 3.6 mmtt -71.01 -37.79 72.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 10.2 mtmm -64.27 -50.06 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.16 -38.93 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 111.187 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.619 ' HA ' ' HD3' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.73 -45.98 92.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.018 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -41.59 80.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 2.5 mtm-85 -60.89 -33.71 73.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.649 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -63.42 -49.21 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.498 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.4 tt0 -61.76 -39.02 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.166 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.76 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.353 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.27 -43.75 97.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.531 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.649 HG23 ' O ' ' B' ' 651' ' ' LEU . 46.4 t -57.63 -46.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.35 -29.12 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -54.51 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.647 ' CG1' HD13 ' C' ' 662' ' ' LEU . 5.6 tt -64.42 -26.9 41.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.663 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.55 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 5.4 tptt -69.06 -40.77 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -41.66 98.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' C' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.8 85.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.64 -20.56 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.61 -35.65 81.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.63 -34.75 74.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.61 -35.76 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.394 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.406 ' H ' HG23 ' C' ' 609' ' ' VAL . 2.1 t -68.85 -31.59 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.38 -48.12 81.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.153 0.502 . . . . 0.0 111.784 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.423 ' HB3' HH22 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.5 179.416 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.651 HD21 ' HA ' ' A' ' 613' ' ' ARG . 3.0 mt -64.3 -37.49 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 111.126 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.634 ' HA ' HD21 ' B' ' 612' ' ' LEU . 10.8 ttm180 -64.43 -37.06 86.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -48.62 68.78 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.596 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.442 ' HG2' ' CG1' ' A' ' 616' ' ' VAL . 3.0 tt0 -63.66 -38.38 90.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.992 0.425 . . . . 0.0 111.186 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.579 HG23 ' O ' ' C' ' 612' ' ' LEU . 75.1 t -66.65 -45.19 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -50.01 75.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.276 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.645 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.1 mt-10 -65.49 -29.31 69.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.555 ' HB3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -61.11 -50.22 74.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -39.07 76.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.645 HG13 ' O ' ' C' ' 618' ' ' GLU . 96.8 mt -62.45 -49.48 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.645 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.528 HG22 ' SD ' ' B' ' 626' ' ' MET . 5.5 mt -62.63 -35.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.195 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.39 -45.76 75.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.191 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 14.8 p -68.28 -43.13 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.571 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 54.2 mtt -65.19 -36.19 83.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.573 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 0.0 OUTLIER -62.82 -43.36 99.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -67.45 -34.21 76.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -66.63 -46.69 74.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.45 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.0 OUTLIER -66.58 -36.66 83.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' C' ' 634' ' ' ILE . 2.5 mmpt? -65.34 -41.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -41.98 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.018 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.3 mm-40 -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.84 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' B' ' 633' ' ' GLU . 32.4 mt -62.65 -40.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.127 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.486 ' N ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -61.6 -41.45 97.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.473 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.4 -38.27 90.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.0 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.577 HD21 ' HG ' ' A' ' 638' ' ' LEU . 14.2 mt -67.94 -41.8 81.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.754 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.574 ' HG ' HD21 ' B' ' 637' ' ' LEU . 4.3 mt -63.19 -41.91 99.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -43.85 93.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -40.28 95.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.497 ' HA ' HD21 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -66.85 -42.93 84.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.788 179.54 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -40.05 95.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.567 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.22 -32.53 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.186 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.669 ' HG2' ' HD3' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.73 70.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.679 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 3.6 mmtt -70.95 -37.87 72.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 10.2 mtmm -64.23 -50.1 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.08 -39.04 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.022 0.439 . . . . 0.0 111.201 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.619 ' HD3' ' HA ' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.72 -45.88 92.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -41.62 80.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.775 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 2.5 mtm-85 -60.85 -33.83 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.645 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -63.3 -49.27 74.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.785 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.504 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.3 tt0 -61.69 -39.08 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.202 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.73 -43.6 98.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.24 -43.83 96.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.547 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.645 HG23 ' O ' ' C' ' 651' ' ' LEU . 46.2 t -57.52 -46.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 656' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' C' ' 660' ' ' LYS . 8.5 m120 -63.27 -29.22 70.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.65 13.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.752 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.63 ' CG1' HD13 ' A' ' 662' ' ' LEU . 5.6 tt -64.49 -26.76 41.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.656 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.548 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 5.4 tptt -69.17 -40.71 77.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 660' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' C' ' 656' ' ' ASN . 0.1 OUTLIER -62.28 -41.71 98.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.8 69.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.298 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.722 ' CD1' HD12 ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.71 -37.82 85.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -83.54 -20.62 33.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.11 -56.42 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.31 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.99 -43.02 72.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 608' ' ' ALA . . . . . 0.856 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -62.02 -40.37 95.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.849 HG11 ' HB1' ' C' ' 608' ' ' ALA . 51.6 t -72.9 -34.0 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.57 63.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 111.769 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.27 -39.01 93.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.506 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.5 OUTLIER -67.42 -41.92 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.063 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.516 ' HA ' HD11 ' C' ' 612' ' ' LEU . 3.9 tpp180 -62.29 -41.12 98.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.027 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 38.6 p -67.31 -37.41 83.31 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.475 ' HB3' HG11 ' B' ' 616' ' ' VAL . 1.7 mt-30 -69.44 -41.15 76.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 111.107 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 612' ' ' LEU . 45.8 t -71.08 -40.03 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -61.78 -49.11 77.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.284 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.456 ' O ' HG13 ' A' ' 622' ' ' ILE . 2.6 mm-40 -64.65 -42.01 95.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' A' ' 622' ' ' ILE . 5.7 tp -59.38 -41.22 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -59.14 -41.63 88.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.76 -34.81 78.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.599 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 619' ' ' LEU . 31.2 mt -69.68 -31.49 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.584 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.775 HD11 HD11 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -67.98 -49.17 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.242 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -61.76 -43.56 98.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 625' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 34.9 m -67.84 -40.81 83.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.011 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.586 ' HG3' ' HG3' ' B' ' 627' ' ' LYS . 14.3 ttm -68.2 -38.38 81.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.602 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 9.1 tttt -65.4 -48.69 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -32.81 71.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.076 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 625' ' ' THR . 1.9 mt-30 -65.14 -43.13 92.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.558 ' HG2' ' N ' ' A' ' 631' ' ' LYS . 0.4 OUTLIER -67.8 -36.74 80.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.595 ' O ' HG13 ' A' ' 634' ' ' ILE . 10.5 mttm -68.23 -39.02 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.32 -41.85 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.935 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.41 -51.63 64.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.129 0.49 . . . . 0.0 111.89 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.3 pp -61.58 -36.19 71.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.15 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.507 ' HA ' HD12 ' A' ' 638' ' ' LEU . 2.2 tppp? -62.69 -42.63 99.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.411 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -42.02 91.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.016 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.667 HD23 HD12 ' B' ' 641' ' ' LEU . 1.8 mt -62.06 -41.11 97.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 635' ' ' LYS . 9.7 mt -62.5 -38.83 91.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.462 ' HB3' HD13 ' B' ' 641' ' ' LEU . 7.1 tt0 -65.06 -44.02 90.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.661 HD12 HD23 ' C' ' 637' ' ' LEU . 0.4 OUTLIER -60.66 -37.0 80.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.799 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -38.3 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.578 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.3 -45.45 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.252 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.619 ' HG3' ' HD3' ' B' ' 645' ' ' LYS . 3.2 tt0 -68.38 -22.55 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.941 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.62 ' HD3' ' HG3' ' C' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.28 3.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.716 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.62 -44.38 85.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.539 HD12 HH12 ' A' ' 650' ' ' ARG . 0.5 OUTLIER -64.16 -38.9 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.062 0.458 . . . . 0.0 111.241 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.613 HH12 HD12 ' A' ' 649' ' ' LEU . 7.4 tmm_? -64.98 -41.56 95.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.613 HD12 HH12 ' A' ' 648' ' ' ARG . 0.2 OUTLIER -64.57 -41.41 96.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.539 HH12 HD12 ' A' ' 647' ' ' ILE . 0.4 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.737 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 655' ' ' VAL . 23.0 tp -66.35 -37.66 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.724 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.431 ' HG2' HD22 ' C' ' 651' ' ' LEU . 6.5 mm-40 -57.8 -44.2 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.186 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.29 -44.45 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.84 -47.96 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.489 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 651' ' ' LEU . 20.3 t -58.6 -37.86 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.101 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -45.14 93.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.746 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.749 HG23 HD22 ' B' ' 662' ' ' LEU . 1.3 mt -69.14 -32.28 53.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.642 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.584 ' HG2' HD11 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -68.31 -49.44 60.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.4 93.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.81 76.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.345 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.771 HD22 HG23 ' C' ' 658' ' ' ILE . 0.3 OUTLIER -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.539 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.87 -19.8 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.9 -43.14 72.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.17 -34.95 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 608' ' ' ALA . . . . . 0.852 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -62.02 -40.34 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.428 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.856 HG11 ' HB1' ' A' ' 608' ' ' ALA . 51.2 t -72.85 -34.1 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.617 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.54 63.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 111.815 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -39.06 93.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.626 ' O ' HG23 ' B' ' 616' ' ' VAL . 0.5 OUTLIER -67.44 -41.89 84.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 111.14 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.507 ' HA ' HD11 ' A' ' 612' ' ' LEU . 3.9 tpp180 -62.16 -41.31 98.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.43 83.68 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.694 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.476 ' HB3' HG11 ' C' ' 616' ' ' VAL . 1.7 mt-30 -69.4 -41.16 76.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.146 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 612' ' ' LEU . 45.9 t -71.1 -39.97 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -61.78 -49.14 77.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.299 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' B' ' 622' ' ' ILE . 2.7 mm-40 -64.59 -42.07 95.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.699 ' HA ' HD12 ' B' ' 622' ' ' ILE . 5.7 tp -59.37 -41.18 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -41.66 88.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.63 -34.92 78.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' B' ' 619' ' ' LEU . 31.3 mt -69.64 -31.52 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.556 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.771 HD11 HD11 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -67.99 -49.2 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.319 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 625' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 35.4 m -67.8 -40.83 83.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.032 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.594 ' HG3' ' HG3' ' C' ' 627' ' ' LYS . 14.3 ttm -68.15 -38.42 82.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.586 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 9.2 tttt -65.45 -48.7 71.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.052 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -32.91 71.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.065 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 625' ' ' THR . 1.9 mt-30 -65.16 -43.15 92.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.562 ' HG2' ' N ' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -67.85 -36.65 80.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.593 ' O ' HG13 ' B' ' 634' ' ' ILE . 10.4 mttm -68.19 -39.11 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -66.25 -41.82 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.978 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.53 -51.47 65.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.03 0.443 . . . . 0.0 111.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.593 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.3 pp -61.69 -36.21 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.079 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' B' ' 638' ' ' LEU . 2.2 tppp? -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.491 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -41.95 91.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.654 HD23 HD12 ' C' ' 641' ' ' LEU . 1.8 mt -62.07 -41.29 98.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -62.4 -38.82 91.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -46.84 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' C' ' 641' ' ' LEU . 7.1 tt0 -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.985 0.422 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.667 HD12 HD23 ' A' ' 637' ' ' LEU . 0.4 OUTLIER -60.72 -36.92 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.799 179.561 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -38.23 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.491 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.34 -45.41 91.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.241 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.61 ' HG3' ' HD3' ' C' ' 645' ' ' LYS . 3.2 tt0 -68.39 -22.63 64.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.619 ' HD3' ' HG3' ' A' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.31 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.723 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.57 -44.33 85.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.55 HD12 HH12 ' B' ' 650' ' ' ARG . 0.5 OUTLIER -64.2 -38.95 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.065 0.46 . . . . 0.0 111.186 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.626 HH12 HD12 ' B' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.048 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.626 HD12 HH12 ' B' ' 648' ' ' ARG . 0.2 OUTLIER -64.56 -41.37 96.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.55 HH12 HD12 ' B' ' 647' ' ' ILE . 0.4 OUTLIER -61.33 -42.06 98.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.805 ' O ' HG23 ' B' ' 655' ' ' VAL . 23.1 tp -66.39 -37.62 85.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.423 ' HG2' HD22 ' A' ' 651' ' ' LEU . 6.5 mm-40 -57.82 -44.28 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.141 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.16 -44.51 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.362 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -47.95 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.545 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.805 HG23 ' O ' ' B' ' 651' ' ' LEU . 20.0 t -58.58 -37.79 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 111.22 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.77 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -45.11 93.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.765 HG23 HD22 ' C' ' 662' ' ' LEU . 1.3 mt -69.07 -32.33 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.65 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.604 ' HG2' HD11 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -68.24 -49.41 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 111.109 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -45.45 93.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.86 76.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.749 HD22 HG23 ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.467 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.79 -19.84 36.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.91 -43.11 72.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.94 79.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 608' ' ' ALA . . . . . 0.849 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -62.03 -40.41 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.389 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.852 HG11 ' HB1' ' B' ' 608' ' ' ALA . 51.9 t -72.85 -34.12 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.39 -52.44 63.59 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.129 0.49 . . . . 0.0 111.783 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.23 -39.15 93.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.432 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.621 ' O ' HG23 ' C' ' 616' ' ' VAL . 0.5 OUTLIER -67.38 -41.88 84.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.722 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.505 ' HA ' HD11 ' B' ' 612' ' ' LEU . 3.9 tpp180 -62.21 -41.29 98.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.44 83.71 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.69 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.489 ' HB3' HG11 ' A' ' 616' ' ' VAL . 1.7 mt-30 -69.41 -41.18 76.74 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.981 0.42 . . . . 0.0 111.145 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.621 HG23 ' O ' ' C' ' 612' ' ' LEU . 46.1 t -71.07 -40.05 75.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -49.16 77.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.333 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.468 ' O ' HG13 ' C' ' 622' ' ' ILE . 2.6 mm-40 -64.59 -42.06 95.84 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' C' ' 622' ' ' ILE . 5.8 tp -59.37 -41.14 88.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.039 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -41.79 88.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.67 -34.78 78.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.602 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' C' ' 619' ' ' LEU . 31.1 mt -69.68 -31.53 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.775 HD11 HD11 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -67.94 -49.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.292 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -61.76 -43.54 98.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 625' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 35.0 m -67.82 -40.85 83.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.035 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.602 ' HG3' ' HG3' ' A' ' 627' ' ' LYS . 14.2 ttm -68.06 -38.45 82.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.594 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 9.1 tttt -65.44 -48.72 71.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -32.88 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' C' ' 625' ' ' THR . 1.9 mt-30 -65.1 -43.13 93.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.572 ' HG2' ' N ' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -67.83 -36.69 80.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.589 ' O ' HG13 ' C' ' 634' ' ' ILE . 10.4 mttm -68.18 -39.11 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.23 -41.82 89.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.008 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.49 -51.52 65.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.858 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.589 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.3 pp -61.64 -36.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.039 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' C' ' 638' ' ' LEU . 2.2 tppp? -62.52 -42.68 99.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.51 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.03 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.96 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 641' ' ' LEU . 1.8 mt -61.99 -41.23 97.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -62.41 -38.87 91.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -46.84 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.777 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.464 ' HB3' HD13 ' A' ' 641' ' ' LEU . 7.1 tt0 -65.0 -43.93 90.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.654 HD12 HD23 ' B' ' 637' ' ' LEU . 0.4 OUTLIER -60.83 -36.89 80.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.769 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -38.17 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.47 -45.31 91.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.208 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.62 ' HG3' ' HD3' ' A' ' 645' ' ' LYS . 3.2 tt0 -68.48 -22.61 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.61 ' HD3' ' HG3' ' B' ' 644' ' ' GLU . 2.8 mmtm -70.36 -58.23 3.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.66 -44.38 85.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.55 HD12 HH12 ' C' ' 650' ' ' ARG . 0.5 OUTLIER -64.14 -39.0 83.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.168 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.596 HH12 HD12 ' C' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.49 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.596 HD12 HH12 ' C' ' 648' ' ' ARG . 0.2 OUTLIER -64.62 -41.37 96.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.735 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.55 HH12 HD12 ' C' ' 647' ' ' ILE . 0.4 OUTLIER -61.27 -42.1 98.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.724 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.795 ' O ' HG23 ' C' ' 655' ' ' VAL . 23.1 tp -66.43 -37.62 85.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.422 ' HG2' HD22 ' B' ' 651' ' ' LEU . 6.5 mm-40 -57.78 -44.23 86.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.23 -44.48 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.294 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -47.93 83.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.491 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.795 HG23 ' O ' ' C' ' 651' ' ' LEU . 20.0 t -58.59 -37.86 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.153 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.79 95.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.771 HG23 HD22 ' A' ' 662' ' ' LEU . 1.3 mt -69.11 -32.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.666 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -68.23 -49.39 61.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.86 76.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.392 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.765 HD22 HG23 ' B' ' 658' ' ' ILE . 0.3 OUTLIER -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.88 -19.86 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -54.16 7.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 606' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 610' ' ' GLU . 0.2 OUTLIER -71.26 -33.35 69.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.45 93.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.1 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.432 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.83 -35.87 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 606' ' ' GLN . 3.9 mm-40 -62.7 -43.65 98.25 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.162 0.505 . . . . 0.0 111.75 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.409 ' HB3' ' NH2' ' B' ' 613' ' ' ARG . 0.2 OUTLIER -62.99 -42.49 99.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.921 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.4 mt -65.07 -35.8 82.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.111 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.933 ' HA ' HD21 ' C' ' 612' ' ' LEU . 18.3 ttm180 -64.82 -39.93 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -44.05 85.28 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.607 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.34 -41.42 80.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.177 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.561 HG21 HD22 ' C' ' 612' ' ' LEU . 40.0 t -59.71 -44.36 93.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.08 -43.63 98.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.317 -179.655 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.36 -35.3 80.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.772 HD23 HD11 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.93 -43.41 94.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.52 84.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -29.95 68.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.61 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.37 -49.02 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.768 HD11 HD23 ' C' ' 619' ' ' LEU . 1.9 mt -59.38 -43.88 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.84 -45.7 92.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.271 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.66 -42.73 98.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.674 ' SD ' HG22 ' B' ' 623' ' ' ILE . 19.1 mtt -63.8 -37.31 86.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.423 ' HD3' ' NE2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -69.63 -37.49 76.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.49 91.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.82 -50.43 66.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 634' ' ' ILE . 0.7 OUTLIER -63.55 -40.92 98.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.534 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 0.2 OUTLIER -58.18 -44.57 88.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.978 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -36.89 83.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.065 0.46 . . . . 0.0 111.893 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 630' ' ' GLN . 5.6 mt -65.34 -35.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.105 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.425 ' HA ' HD12 ' A' ' 638' ' ' LEU . 9.3 mmtp -64.81 -43.0 94.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.417 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -64.73 -39.38 93.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -42.93 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 635' ' ' LYS . 8.3 mt -63.69 -44.69 92.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.169 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -40.22 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.781 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 642' ' ' ASP . . . . . 0.482 ' O ' ' HE2' ' A' ' 646' ' ' LYS . 0.8 OUTLIER -61.21 -36.74 80.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.544 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -40.28 83.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.289 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -63.25 -37.32 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.87 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.576 ' HA ' ' OE2' ' C' ' 644' ' ' GLU . 10.6 mmtt -62.68 -50.67 70.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.482 ' HE2' ' O ' ' A' ' 642' ' ' ASP . 3.7 mtmm -56.19 -53.91 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 650' ' ' ARG . 7.5 mt -57.9 -40.77 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.063 0.459 . . . . 0.0 111.199 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' C' ' 647' ' ' ILE . 5.0 tmm_? -64.75 -36.22 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.01 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.67 -46.39 85.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.451 ' HD2' ' HA ' ' A' ' 647' ' ' ILE . 5.3 mtt180 -63.3 -31.32 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -62.34 -51.34 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.509 ' HA ' HD21 ' C' ' 651' ' ' LEU . 3.1 tt0 -59.34 -35.38 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.209 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.23 -43.92 93.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.343 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 658' ' ' ILE . 4.6 tt0 -62.47 -42.36 99.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 651' ' ' LEU . 28.3 t -63.59 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.58 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.59 64.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.757 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 659' ' ' LYS . 8.5 tt -65.21 -36.41 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.636 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' C' ' 658' ' ' ILE . 2.2 tptt -60.81 -43.51 98.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.814 0.34 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -45.17 89.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.64 81.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.331 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -29.14 63.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -28.06 38.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.75 0.31 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 606' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' B' ' 610' ' ' GLU . 0.2 OUTLIER -71.25 -33.24 69.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.44 93.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.24 84.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.82 -35.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 610' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 606' ' ' GLN . 3.9 mm-40 -62.63 -43.65 98.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.253 0.549 . . . . 0.0 111.782 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.414 ' HB3' ' NH2' ' C' ' 613' ' ' ARG . 0.2 OUTLIER -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.447 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.953 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.4 mt -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.921 ' HA ' HD21 ' A' ' 612' ' ' LEU . 18.3 ttm180 -64.79 -40.02 94.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.06 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -44.05 85.71 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.671 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.29 -41.57 80.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.02 0.438 . . . . 0.0 111.163 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.552 HG21 HD22 ' A' ' 612' ' ' LEU . 40.1 t -59.64 -44.3 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.12 -43.59 97.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.311 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.39 -35.26 80.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.747 HD23 HD11 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -60.04 -43.32 95.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.603 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.56 84.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -30.08 69.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 8.6 mt -65.23 -49.14 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.772 HD11 HD23 ' A' ' 619' ' ' LEU . 1.9 mt -59.25 -43.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.243 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.9 -45.74 92.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -42.78 98.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.665 ' SD ' HG22 ' C' ' 623' ' ' ILE . 19.2 mtt -63.72 -37.32 86.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.415 ' HD3' ' NE2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -69.53 -37.59 77.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.077 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.45 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.77 -50.52 66.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.439 ' O ' HD12 ' B' ' 634' ' ' ILE . 0.7 OUTLIER -63.51 -40.91 98.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 0.2 OUTLIER -58.06 -44.62 87.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.945 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -36.87 83.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 111.887 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.439 HD12 ' O ' ' B' ' 630' ' ' GLN . 5.6 mt -65.31 -35.51 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.057 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' B' ' 638' ' ' LEU . 9.3 mmtp -64.67 -43.12 94.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.58 -39.45 93.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.26 -43.0 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.718 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 635' ' ' LYS . 8.3 mt -63.61 -44.7 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -43.24 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.7 -43.5 97.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.787 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HE2' ' B' ' 646' ' ' LYS . 0.8 OUTLIER -61.13 -36.79 80.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.541 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -40.3 83.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.254 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.561 ' OE2' ' HA ' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -63.18 -37.34 86.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.578 ' HA ' ' OE2' ' A' ' 644' ' ' GLU . 10.6 mmtt -62.72 -50.63 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' B' ' 642' ' ' ASP . 3.7 mtmm -56.34 -53.72 53.98 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.453 HG22 ' HD3' ' C' ' 648' ' ' ARG . 7.5 mt -57.9 -40.89 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 121.103 0.477 . . . . 0.0 111.202 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 647' ' ' ILE . 5.0 tmm_? -64.6 -36.28 83.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.097 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.57 -46.47 85.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.733 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' B' ' 647' ' ' ILE . 5.3 mtt180 -63.27 -31.28 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.53 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -62.47 -51.29 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.503 ' HA ' HD21 ' A' ' 651' ' ' LEU . 3.1 tt0 -59.41 -35.3 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.152 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.32 -43.99 92.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.27 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.43 ' O ' HG22 ' B' ' 658' ' ' ILE . 4.6 tt0 -62.33 -42.43 99.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.533 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 651' ' ' LEU . 27.4 t -63.49 -38.89 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 111.266 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -71.44 -34.35 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -50.58 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' C' ' 659' ' ' LYS . 8.5 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.637 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' ' 658' ' ' ILE . 2.2 tptt -60.68 -43.6 97.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.772 0.32 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -45.18 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.65 81.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.297 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -29.12 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -28.01 38.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 606' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' C' ' 610' ' ' GLU . 0.2 OUTLIER -71.27 -33.2 69.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.44 93.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.11 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.85 -35.8 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 610' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' C' ' 606' ' ' GLN . 3.9 mm-40 -62.73 -43.63 98.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.415 ' HB3' ' NH2' ' A' ' 613' ' ' ARG . 0.2 OUTLIER -63.09 -42.43 99.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.398 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.4 mt -65.09 -35.82 82.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.953 ' HA ' HD21 ' B' ' 612' ' ' LEU . 18.3 ttm180 -64.83 -39.91 94.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -44.08 85.2 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.598 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.27 -41.53 80.93 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.056 0.455 . . . . 0.0 111.135 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.563 HG21 HD22 ' B' ' 612' ' ' LEU . 39.8 t -59.79 -44.3 93.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.07 -43.6 98.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.339 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.34 -35.34 80.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.768 HD23 HD11 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.015 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -58.88 -40.5 84.55 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -30.02 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.561 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.3 -49.0 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.025 0.441 . . . . 0.0 111.612 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.747 HD11 HD23 ' B' ' 619' ' ' LEU . 1.9 mt -59.39 -43.96 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.196 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.83 -45.68 92.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.7 -42.74 97.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.662 ' SD ' HG22 ' A' ' 623' ' ' ILE . 19.2 mtt -63.76 -37.34 87.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.413 ' HD3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -69.57 -37.49 77.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -65.76 -39.45 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.997 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.83 -50.49 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.758 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.436 ' O ' HD12 ' C' ' 634' ' ' ILE . 0.7 OUTLIER -63.48 -40.93 98.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.966 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.54 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 0.2 OUTLIER -58.09 -44.63 87.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -36.84 83.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.851 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.436 HD12 ' O ' ' C' ' 630' ' ' GLN . 5.6 mt -65.38 -35.47 75.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.068 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' C' ' 638' ' ' LEU . 9.3 mmtp -64.66 -43.02 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.448 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.73 -39.49 93.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.22 -43.01 99.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.796 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' C' ' 635' ' ' LYS . 8.3 mt -63.58 -44.66 93.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.784 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.67 -43.54 97.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.993 0.425 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -40.18 96.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.752 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 642' ' ' ASP . . . . . 0.486 ' O ' ' HE2' ' C' ' 646' ' ' LYS . 0.8 OUTLIER -61.24 -36.76 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.488 -179.322 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.246 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -63.2 -37.33 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.561 ' HA ' ' OE2' ' B' ' 644' ' ' GLU . 10.6 mmtt -62.67 -50.64 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' C' ' 642' ' ' ASP . 3.7 mtmm -56.36 -53.69 54.42 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.267 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.449 HG22 ' HD3' ' A' ' 648' ' ' ARG . 7.5 mt -57.94 -40.9 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 121.04 0.448 . . . . 0.0 111.117 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.453 ' HD3' HG22 ' B' ' 647' ' ' ILE . 5.0 tmm_? -64.68 -36.21 83.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.018 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.64 -46.44 85.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' C' ' 650' ' ' ARG . 5.3 mtt180 -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.704 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.527 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -62.42 -51.31 68.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.496 ' HA ' HD21 ' B' ' 651' ' ' LEU . 3.1 tt0 -59.43 -35.32 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.255 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.22 -43.99 93.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.283 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.421 ' O ' HG22 ' C' ' 658' ' ' ILE . 4.6 tt0 -62.45 -42.33 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.527 HG23 ' O ' ' C' ' 651' ' ' LEU . 27.6 t -63.54 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.57 -34.24 69.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.51 64.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 659' ' ' LYS . 8.5 tt -65.33 -36.32 77.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.681 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' B' ' 658' ' ' ILE . 2.2 tptt -60.72 -43.59 97.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.836 0.35 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.27 89.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.66 81.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.304 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 0.0 OUTLIER -72.16 -29.04 63.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.93 37.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m -75.54 -42.98 51.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.793 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.2 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.718 0.294 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -46.94 42.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.46 73.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.93 86.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.393 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 605' ' ' SER . 5.8 t -66.46 -44.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -45.98 84.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.192 0.52 . . . . 0.0 111.8 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.85 -32.02 73.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.42 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -66.79 -46.06 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 111.148 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.41 -44.59 92.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 618' ' ' GLU . 64.7 p -67.42 -32.83 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.605 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.791 ' HB3' HG11 ' B' ' 616' ' ' VAL . 1.8 mt-30 -62.75 -54.26 41.89 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.802 HG11 ' HB3' ' C' ' 615' ' ' GLN . 3.1 t -66.96 -33.17 61.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -53.13 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 614' ' ' THR . 76.4 mt-10 -64.76 -41.99 95.48 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 623' ' ' ILE . 10.2 tp -59.7 -40.13 86.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.623 ' HD2' HD22 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.85 -44.94 91.12 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.978 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.11 -41.05 78.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.634 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 619' ' ' LEU . 46.9 mt -64.79 -37.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.611 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 619' ' ' LEU . 0.9 OUTLIER -63.67 -43.25 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.272 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -42.53 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' THR . . . . . 0.661 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 24.4 m -63.22 -43.61 97.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.012 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.5 -36.42 71.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.44 20.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 628' ' ' ASP . . . . . 0.557 ' HB3' HH21 ' A' ' 632' ' ' ARG . 26.2 m-20 -66.34 -29.87 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.661 ' HB2' ' O ' ' A' ' 625' ' ' THR . 5.9 tt0 -65.02 -44.19 90.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 627' ' ' LYS . 4.5 pt20 -66.42 -35.88 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 634' ' ' ILE . 15.6 mttm -61.85 -47.69 83.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 632' ' ' ARG . . . . . 0.557 HH21 ' HB3' ' A' ' 628' ' ' ASP . 9.0 mtt180 -67.71 -38.87 84.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.024 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.591 ' HB3' HG21 ' B' ' 634' ' ' ILE . 52.3 mt-10 -58.96 -52.92 63.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' C' ' 633' ' ' GLU . 1.7 pp -68.1 -35.23 70.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.125 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.55 -52.81 63.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.448 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.47 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.451 HD23 HD12 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -62.46 -41.51 98.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.607 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.6 -42.37 98.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.811 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.57 -37.17 82.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.008 0.432 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.4 OUTLIER -68.69 -40.23 80.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.768 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.28 -39.31 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 647' ' ' ILE . 2.5 tt0 -65.49 -41.51 93.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.217 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.677 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 4.3 tt0 -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 2.5 mmtt -68.47 -48.1 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -45.03 88.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.263 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 643' ' ' GLU . 4.8 tt -67.08 -36.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.25 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.667 HH11 ' HG3' ' A' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.3 66.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.02 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.434 ' HG ' HH12 ' A' ' 648' ' ' ARG . 0.4 OUTLIER -60.74 -41.07 94.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.736 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 647' ' ' ILE . 19.8 mtp180 -59.0 -45.61 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.655 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 655' ' ' VAL . 8.7 tp -63.06 -31.45 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.667 ' HG3' HH11 ' A' ' 648' ' ' ARG . 2.7 mm-40 -60.33 -41.86 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.27 89.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 111.363 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.471 ' O ' HG13 ' A' ' 658' ' ' ILE . 16.6 tt0 -62.68 -43.95 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 651' ' ' LEU . 81.6 t -57.78 -45.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -38.35 69.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.23 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.741 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 654' ' ' GLU . 0.6 OUTLIER -63.01 -34.89 69.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.699 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.41 ' HD3' ' OE1' ' A' ' 663' ' ' GLN . 0.3 OUTLIER -70.66 -41.27 72.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.048 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -45.65 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.992 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.805 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -71.66 -35.21 70.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.307 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' C' ' 661' ' ' ALA . 1.2 tp -68.03 -31.24 70.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.539 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' GLN . . . . . 0.41 ' OE1' ' HD3' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -80.94 -30.43 35.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.789 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.2 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.729 0.299 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -46.94 42.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.47 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.76 86.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.789 HG23 ' O ' ' B' ' 605' ' ' SER . 5.9 t -66.61 -45.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -46.15 83.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.212 0.53 . . . . 0.0 111.796 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.75 -32.07 73.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 612' ' ' LEU . 0.0 OUTLIER -66.78 -46.13 76.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.25 -44.68 92.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 614' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' B' ' 618' ' ' GLU . 64.9 p -67.39 -32.85 74.04 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.608 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.779 ' HB3' HG11 ' C' ' 616' ' ' VAL . 1.8 mt-30 -62.81 -54.13 43.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.018 0.437 . . . . 0.0 111.184 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.791 HG11 ' HB3' ' A' ' 615' ' ' GLN . 3.1 t -67.03 -33.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -63.77 -53.02 57.44 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.36 -179.758 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 614' ' ' THR . 76.4 mt-10 -64.75 -42.08 95.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.658 ' O ' HD12 ' B' ' 623' ' ' ILE . 10.3 tp -59.68 -40.23 87.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.633 ' HD2' HD22 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.8 -44.97 90.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -40.97 78.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' B' ' 619' ' ' LEU . 46.5 mt -64.7 -37.63 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 0.0 111.711 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.658 HD12 ' O ' ' B' ' 619' ' ' LEU . 0.9 OUTLIER -63.81 -43.13 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.14 -42.57 88.93 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 625' ' ' THR . . . . . 0.66 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 24.2 m -63.11 -43.68 97.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.48 -36.39 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.55 19.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 628' ' ' ASP . . . . . 0.559 ' HB3' HH21 ' B' ' 632' ' ' ARG . 26.2 m-20 -66.18 -29.99 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.017 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.66 ' HB2' ' O ' ' B' ' 625' ' ' THR . 5.9 tt0 -64.97 -44.15 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.762 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 4.5 pt20 -66.5 -35.86 81.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.483 ' O ' HG13 ' B' ' 634' ' ' ILE . 15.6 mttm -61.81 -47.72 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.559 HH21 ' HB3' ' B' ' 628' ' ' ASP . 9.0 mtt180 -67.67 -38.93 84.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.953 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' C' ' 634' ' ' ILE . 52.4 mt-10 -58.91 -52.99 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 111.894 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.591 HG21 ' HB3' ' A' ' 633' ' ' GLU . 1.7 pp -68.12 -35.19 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.132 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.51 -52.83 63.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.479 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.53 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.439 HD23 HD12 ' C' ' 641' ' ' LEU . 0.5 OUTLIER -62.38 -41.51 98.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -38.08 86.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.55 -42.4 98.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.786 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.5 -37.29 82.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.638 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -68.58 -40.28 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.767 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.32 -39.3 85.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.471 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.567 ' O ' HG22 ' B' ' 647' ' ' ILE . 2.5 tt0 -65.53 -41.4 93.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.28 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.663 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 4.2 tt0 -71.95 -28.81 63.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.677 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 2.5 mmtt -68.49 -48.07 65.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.0 88.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.567 HG22 ' O ' ' B' ' 643' ' ' GLU . 4.8 tt -67.14 -36.88 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 111.245 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.666 HH11 ' HG3' ' B' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.34 66.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.044 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.442 ' HG ' HH12 ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.67 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.735 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' B' ' 647' ' ' ILE . 19.9 mtp180 -58.99 -45.57 90.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.612 ' O ' HG23 ' B' ' 655' ' ' VAL . 8.7 tp -63.12 -31.41 72.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.666 ' HG3' HH11 ' B' ' 648' ' ' ARG . 2.7 mm-40 -60.36 -41.84 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.149 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.34 -40.29 89.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.358 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 658' ' ' ILE . 16.5 tt0 -62.71 -43.88 97.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.497 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 651' ' ' LEU . 81.5 t -57.78 -45.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.22 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -38.3 69.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.54 -47.26 82.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.679 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.481 HG22 HD13 ' C' ' 662' ' ' LEU . 0.6 OUTLIER -63.04 -34.87 69.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.688 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.67 -41.21 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -45.61 84.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.822 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.344 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 661' ' ' ALA . 1.2 tp -68.0 -31.23 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.571 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 663' ' ' GLN . . . . . 0.403 ' OE1' ' HD3' ' B' ' 659' ' ' LYS . 0.0 OUTLIER -80.97 -30.4 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.788 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.2 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -47.03 41.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.39 72.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.77 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.439 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.788 HG23 ' O ' ' C' ' 605' ' ' SER . 5.8 t -66.55 -44.94 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -46.11 84.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 111.752 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 -32.07 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.47 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' C' ' 612' ' ' LEU . 0.0 OUTLIER -66.79 -46.15 76.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.79 0.329 . . . . 0.0 111.113 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.21 -44.68 92.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 614' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' C' ' 618' ' ' GLU . 64.3 p -67.45 -32.79 73.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.609 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.802 ' HB3' HG11 ' A' ' 616' ' ' VAL . 1.8 mt-30 -62.86 -54.2 42.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.965 0.412 . . . . 0.0 111.162 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' B' ' 615' ' ' GLN . 3.2 t -66.96 -33.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.457 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -63.74 -53.13 55.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.299 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' C' ' 614' ' ' THR . 76.4 mt-10 -64.72 -42.03 95.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.646 ' O ' HD12 ' C' ' 623' ' ' ILE . 10.2 tp -59.69 -40.19 87.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.612 ' HD2' HD22 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.83 -44.97 91.04 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -40.98 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' C' ' 619' ' ' LEU . 46.7 mt -64.8 -37.63 80.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.646 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.646 HD12 ' O ' ' C' ' 619' ' ' LEU . 0.9 OUTLIER -63.73 -43.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.222 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.04 -42.6 89.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 625' ' ' THR . . . . . 0.659 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 24.3 m -63.1 -43.58 98.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.036 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.57 -36.35 70.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.51 19.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 628' ' ' ASP . . . . . 0.575 ' HB3' HH21 ' C' ' 632' ' ' ARG . 26.3 m-20 -66.33 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.045 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.659 ' HB2' ' O ' ' C' ' 625' ' ' THR . 5.9 tt0 -65.05 -44.06 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' C' ' 627' ' ' LYS . 4.5 pt20 -66.51 -35.89 81.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.482 ' O ' HG13 ' C' ' 634' ' ' ILE . 15.5 mttm -61.81 -47.73 83.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 632' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' C' ' 628' ' ' ASP . 9.0 mtt180 -67.7 -38.88 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.001 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.589 ' HB3' HG21 ' A' ' 634' ' ' ILE . 52.3 mt-10 -58.93 -52.92 63.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.082 0.467 . . . . 0.0 111.884 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.595 HG21 ' HB3' ' B' ' 633' ' ' GLU . 1.7 pp -68.17 -35.19 70.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.118 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.54 -52.79 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -38.49 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.434 HD23 HD12 ' A' ' 641' ' ' LEU . 0.5 OUTLIER -62.35 -41.6 98.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.747 179.582 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 22.1 m -63.6 -42.31 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.54 -37.3 82.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.639 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -68.65 -40.25 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.772 179.591 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.23 -39.37 86.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.468 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.557 ' O ' HG22 ' C' ' 647' ' ' ILE . 2.5 tt0 -65.46 -41.47 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.224 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.655 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 4.2 tt0 -71.99 -28.78 63.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.663 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 2.5 mmtt -68.5 -48.06 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.01 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 643' ' ' GLU . 4.8 tt -67.17 -36.97 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.171 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.67 HH11 ' HG3' ' C' ' 652' ' ' GLN . 6.0 tmm_? -70.89 -44.37 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.431 ' HG ' HH12 ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.64 -41.1 94.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.418 ' NH1' ' HA ' ' C' ' 647' ' ' ILE . 19.8 mtp180 -59.06 -45.54 90.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.662 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.606 ' O ' HG23 ' C' ' 655' ' ' VAL . 8.7 tp -63.09 -31.52 72.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.67 ' HG3' HH11 ' C' ' 648' ' ' ARG . 2.7 mm-40 -60.24 -41.89 94.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.146 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.26 89.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.469 ' O ' HG13 ' C' ' 658' ' ' ILE . 16.6 tt0 -62.69 -43.91 97.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.478 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.606 HG23 ' O ' ' C' ' 651' ' ' LEU . 82.9 t -57.76 -45.78 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.457 . . . . 0.0 111.239 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -38.31 69.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.26 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.744 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -62.99 -34.88 68.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.644 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.409 ' HD3' ' OE1' ' C' ' 663' ' ' GLN . 0.3 OUTLIER -70.75 -41.21 72.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 111.018 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -45.75 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 661' ' ' ALA . . . . . 0.823 ' HB3' HD21 ' A' ' 662' ' ' LEU . . . -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.32 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' B' ' 661' ' ' ALA . 1.2 tp -68.06 -31.28 70.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 663' ' ' GLN . . . . . 0.409 ' OE1' ' HD3' ' C' ' 659' ' ' LYS . 0.0 OUTLIER -81.01 -30.28 34.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.94 -37.56 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.79 64.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.3 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.32 90.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.92 -38.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.69 -50.81 71.96 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.152 0.501 . . . . 0.0 111.754 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -39.18 91.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.815 ' O ' HG23 ' A' ' 616' ' ' VAL . 12.3 mt -61.48 -44.27 97.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 111.076 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.695 ' HA ' HD21 ' C' ' 612' ' ' LEU . 11.2 ttm180 -56.47 -43.84 79.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.019 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -45.78 92.61 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.646 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.58 -38.97 92.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 111.203 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 612' ' ' LEU . 36.2 t -62.45 -50.7 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -47.2 86.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.346 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.3 -31.61 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.56 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -61.97 -50.9 70.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.4 OUTLIER -58.15 -43.14 87.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.25 78.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.64 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 619' ' ' LEU . 20.1 mt -63.97 -43.74 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.58 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 620' ' ' ARG . 4.6 mt -65.32 -43.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.234 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.43 -42.31 86.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.81 -45.12 72.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.475 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 19.3 mtt -60.98 -37.45 82.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.471 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.7 OUTLIER -65.21 -38.55 90.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.49 -45.65 82.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.61 -48.52 72.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.569 HE21 ' HG2' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -60.3 -44.08 95.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 627' ' ' LYS . 4.0 mmtm -64.91 -38.18 90.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -41.44 97.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.009 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.496 ' HB3' HG21 ' B' ' 634' ' ' ILE . 1.1 mm-40 -64.27 -44.02 93.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.03 0.443 . . . . 0.0 111.839 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' C' ' 633' ' ' GLU . 35.3 mt -63.82 -41.39 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.082 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 638' ' ' LEU . 4.9 mmpp? -61.61 -37.92 85.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.5 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.3 95.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.992 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.3 mt -62.44 -41.84 99.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.6 ' HA ' HD21 ' C' ' 637' ' ' LEU . 2.0 mt -59.53 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -34.46 74.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -44.46 80.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.26 -31.98 73.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.76 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.38 -50.1 75.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.489 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.483 ' HA ' ' OE1' ' A' ' 643' ' ' GLU . 1.2 mm-40 -64.3 -37.14 86.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.283 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.578 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -61.56 -40.28 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.464 ' HD3' HH22 ' A' ' 648' ' ' ARG . 3.5 mttt -66.65 -37.47 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.417 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.84 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 111.187 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.561 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.4 tmm_? -61.49 -47.14 87.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.01 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.4 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 33.4 mtt180 -62.15 -37.6 85.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -57.41 -44.98 85.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.403 ' HA ' HD21 ' C' ' 651' ' ' LEU . 6.0 tt0 -65.74 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.122 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 111.28 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.93 -36.25 82.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 651' ' ' LEU . 25.0 t -66.37 -37.29 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.171 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.54 -53.42 48.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.753 HG13 HD22 ' B' ' 662' ' ' LEU . 13.0 tt -65.91 -31.98 56.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.642 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.6 -49.65 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 660' ' ' LYS . 1.0 OUTLIER -62.51 -43.29 99.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.84 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.33 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.766 HD22 HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -62.52 -32.71 73.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -82.82 -21.88 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.749 0.309 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -70.98 -28.81 64.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.21 88.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.29 91.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.462 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.99 -38.2 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.75 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.735 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -39.13 91.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.826 ' O ' HG23 ' B' ' 616' ' ' VAL . 12.3 mt -61.54 -44.15 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.799 0.333 . . . . 0.0 111.111 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.678 ' HA ' HD21 ' A' ' 612' ' ' LEU . 11.2 ttm180 -56.56 -43.77 80.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -45.75 92.89 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.57 -39.05 93.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 111.147 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.826 HG23 ' O ' ' B' ' 612' ' ' LEU . 35.8 t -62.41 -50.63 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -59.81 -47.12 86.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.31 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.45 -31.43 72.64 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.979 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -62.01 -50.89 70.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.99 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.3 OUTLIER -58.16 -43.09 87.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.85 -36.32 78.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 619' ' ' LEU . 20.1 mt -64.0 -43.68 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.57 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 620' ' ' ARG . 4.6 mt -65.33 -43.8 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -42.27 86.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.8 -45.07 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.483 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 19.2 mtt -61.05 -37.43 82.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.475 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.7 OUTLIER -65.29 -38.51 90.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.021 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.48 -45.64 82.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.57 -48.56 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.559 HE21 ' HG2' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -60.26 -44.12 95.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.569 ' HG2' HE21 ' A' ' 630' ' ' GLN . 4.0 mmtm -64.79 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -41.4 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.974 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.506 ' HB3' HG21 ' C' ' 634' ' ' ILE . 1.1 mm-40 -64.34 -44.08 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 0.0 111.808 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' A' ' 633' ' ' GLU . 35.0 mt -63.76 -41.32 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.162 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' B' ' 638' ' ' LEU . 4.9 mmpp? -61.76 -37.81 85.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.478 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -40.32 95.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.3 mt -62.39 -41.8 98.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HA ' HD21 ' A' ' 637' ' ' LEU . 2.0 mt -59.51 -50.06 75.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -34.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -44.39 80.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.75 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -59.33 -50.11 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.501 ' HA ' ' OE1' ' B' ' 643' ' ' GLU . 1.2 mm-40 -64.37 -37.19 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.2 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.572 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.0 OUTLIER -61.44 -40.39 94.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.45 ' HD3' HH22 ' B' ' 648' ' ' ARG . 3.5 mttt -66.58 -37.54 85.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.681 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.411 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -62.31 -47.66 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.87 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.21 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.578 HH21 ' HG2' ' A' ' 644' ' ' GLU . 4.4 tmm_? -61.41 -47.15 87.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.38 -46.63 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 33.1 mtt180 -62.14 -37.58 85.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.587 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -57.46 -45.07 85.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.737 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.406 ' HA ' HD21 ' A' ' 651' ' ' LEU . 6.0 tt0 -65.61 -34.4 78.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.232 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -43.85 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.03 -36.23 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 651' ' ' LEU . 25.1 t -66.4 -37.24 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -63.58 -43.28 97.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.4 -53.43 48.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.746 HG13 HD22 ' C' ' 662' ' ' LEU . 13.0 tt -66.07 -31.79 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.678 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.531 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.74 -49.62 67.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 660' ' ' LYS . . . . . 0.516 ' HZ2' ' HA ' ' B' ' 660' ' ' LYS . 1.0 OUTLIER -62.49 -43.29 99.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.66 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.304 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.753 HD22 HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -62.57 -32.73 73.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.514 179.506 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 663' ' ' GLN . . . . . 0.463 ' HB2' ' HZ2' ' B' ' 660' ' ' LYS . 8.9 mm100 -82.82 -21.83 34.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.341 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.81 64.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.32 88.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.34 91.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.396 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.97 -38.23 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.77 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -39.11 91.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.832 ' O ' HG23 ' C' ' 616' ' ' VAL . 12.3 mt -61.51 -44.25 97.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.679 ' HA ' HD21 ' B' ' 612' ' ' LEU . 11.2 ttm180 -56.51 -43.86 80.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -45.85 92.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.626 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.54 -39.08 93.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.012 0.434 . . . . 0.0 111.166 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.832 HG23 ' O ' ' C' ' 612' ' ' LEU . 36.4 t -62.34 -50.7 78.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.172 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -59.74 -47.17 86.72 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.704 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.38 -31.46 72.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -62.0 -50.92 70.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.998 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.521 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.4 OUTLIER -58.13 -43.13 87.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.34 78.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' C' ' 619' ' ' LEU . 20.2 mt -63.94 -43.68 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.593 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' C' ' 620' ' ' ARG . 4.6 mt -65.39 -43.73 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -42.15 86.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.249 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -45.02 72.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.039 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.471 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 19.3 mtt -61.02 -37.53 82.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.483 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.7 OUTLIER -65.13 -38.54 90.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.44 -45.67 82.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.073 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.6 -48.51 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.25 -44.08 95.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.559 ' HG2' HE21 ' B' ' 630' ' ' GLN . 3.9 mmtm -64.96 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -41.44 97.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.078 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.489 ' HB3' HG21 ' A' ' 634' ' ' ILE . 1.1 mm-40 -64.33 -43.92 93.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.055 0.455 . . . . 0.0 111.921 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' B' ' 633' ' ' GLU . 35.4 mt -63.91 -41.3 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.066 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' C' ' 638' ' ' LEU . 4.9 mmpp? -61.72 -37.86 85.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.509 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.32 95.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.997 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.3 mt -62.4 -41.86 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.773 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.614 ' HA ' HD21 ' B' ' 637' ' ' LEU . 2.0 mt -59.51 -50.05 75.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.795 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.52 80.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.939 0.399 . . . . 0.0 110.811 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.839 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.53 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.459 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.487 ' HA ' ' OE1' ' C' ' 643' ' ' GLU . 1.2 mm-40 -64.33 -37.19 86.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.249 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.561 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.0 OUTLIER -61.47 -40.35 94.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.894 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.453 ' HD3' HH22 ' C' ' 648' ' ' ARG . 3.5 mttt -66.53 -37.54 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.712 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.42 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -62.34 -47.7 83.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.84 -39.86 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.054 0.454 . . . . 0.0 111.219 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.572 HH21 ' HG2' ' B' ' 644' ' ' GLU . 4.4 tmm_? -61.5 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.45 -46.65 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 33.2 mtt180 -62.22 -37.45 85.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.699 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.581 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -57.5 -44.98 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.772 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.416 ' HA ' HD21 ' B' ' 651' ' ' LEU . 6.0 tt0 -65.7 -34.43 78.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.16 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.298 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.04 -36.24 82.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.581 HG23 ' O ' ' C' ' 651' ' ' LEU . 25.1 t -66.45 -37.19 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.177 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -63.54 -43.32 97.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.52 -53.34 49.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.749 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.766 HG13 HD22 ' A' ' 662' ' ' LEU . 13.0 tt -66.01 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.678 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.532 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.64 -49.65 67.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 660' ' ' LYS . . . . . 0.649 ' HZ2' ' HA ' ' C' ' 660' ' ' LYS . 1.0 OUTLIER -62.53 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.299 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.746 HD22 HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -62.59 -32.73 73.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.463 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m -71.64 -25.08 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 20.7 pttt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.062 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 609' ' ' VAL . 29.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -39.14 74.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.94 75.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.05 90.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 605' ' ' SER . 38.6 t -64.36 -43.44 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.43 -42.5 99.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.173 0.511 . . . . 0.0 111.784 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.31 -39.63 92.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.445 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' B' ' 613' ' ' ARG . 0.4 OUTLIER -62.01 -51.06 69.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.088 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.634 ' HB2' HD21 ' C' ' 612' ' ' LEU . 10.4 tpp180 -57.79 -44.63 86.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.53 -37.89 87.87 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.602 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -45.08 72.42 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.156 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 612' ' ' LEU . 62.0 t -65.26 -36.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -49.39 71.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.337 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -41.04 96.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 623' ' ' ILE . 10.5 tp -64.81 -36.98 86.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.88 -37.82 80.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -37.98 84.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 619' ' ' LEU . 17.9 mt -67.67 -42.4 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.564 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.3 mp -60.04 -49.84 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.186 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.16 -32.22 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.22 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 52.6 m -73.02 -38.69 66.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.012 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.67 -35.11 74.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -64.93 -49.59 69.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.56 -36.22 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.49 -45.04 92.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.832 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 633' ' ' GLU . 0.9 OUTLIER -66.25 -30.86 71.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.772 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 634' ' ' ILE . 8.0 mttm -67.3 -43.32 81.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.71 86.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.028 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.458 ' HB3' HG21 ' B' ' 634' ' ' ILE . 29.2 mt-10 -57.11 -54.8 42.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.855 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.7 pp -63.34 -37.22 78.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 19.3 tptp -60.4 -46.4 90.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.426 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.88 88.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.1 mt -61.84 -39.61 92.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.781 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' C' ' 637' ' ' LEU . 7.1 mt -67.3 -40.85 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.172 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.04 -40.67 94.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -69.33 -44.55 71.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.5 OUTLIER -60.83 -37.95 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.805 179.562 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.2 -45.84 79.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.479 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.33 89.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.27 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 1.1 tt0 -60.3 -38.64 84.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.74 98.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 646' ' ' LYS . 0.3 OUTLIER -60.18 -52.78 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.6 tt -63.63 -39.25 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 121.068 0.461 . . . . 0.0 111.205 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.543 HH22 HD12 ' A' ' 649' ' ' LEU . 0.7 OUTLIER -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.032 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.543 HD12 HH22 ' A' ' 648' ' ' ARG . 0.3 OUTLIER -63.63 -45.23 91.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.768 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.35 -38.65 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 655' ' ' VAL . 34.0 tp -64.59 -41.45 96.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.692 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.601 ' HG2' HD22 ' C' ' 651' ' ' LEU . 0.5 OUTLIER -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.103 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -44.31 94.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 111.249 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.75 96.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 651' ' ' LEU . 86.1 t -63.04 -40.15 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -62.21 -36.84 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.59 -45.38 87.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.716 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.548 HD11 HG13 ' B' ' 655' ' ' VAL . 0.0 OUTLIER -66.3 -37.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.72 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 659' ' ' LYS . 1.2 mmtt -68.64 -39.8 80.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.08 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.89 -39.88 79.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.369 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.66 95.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.52 -33.35 60.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.536 ' O ' HG23 ' B' ' 609' ' ' VAL . 29.7 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -39.08 73.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.9 75.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.04 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.431 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 605' ' ' SER . 38.7 t -64.45 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.633 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.54 -42.4 99.5 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 111.821 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.35 -39.61 92.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.465 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' C' ' 613' ' ' ARG . 0.4 OUTLIER -61.98 -51.11 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.774 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.625 ' HB2' HD21 ' A' ' 612' ' ' LEU . 10.4 tpp180 -57.7 -44.68 86.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.079 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.45 -37.93 87.82 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.648 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -45.01 72.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.994 0.426 . . . . 0.0 111.171 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 612' ' ' LEU . 61.9 t -65.24 -36.26 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -64.6 -49.4 71.25 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.271 -179.716 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -41.08 96.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.753 ' HA ' HD12 ' B' ' 622' ' ' ILE . 10.5 tp -64.78 -36.97 86.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.86 -37.87 80.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -38.02 84.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' B' ' 619' ' ' LEU . 17.9 mt -67.66 -42.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 111.636 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.718 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.3 mp -60.08 -49.76 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.235 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.28 -32.08 72.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.4 m -73.11 -38.76 66.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.63 -35.12 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.95 -49.57 69.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.53 -36.16 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.58 -45.09 91.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 633' ' ' GLU . 0.9 OUTLIER -66.2 -30.87 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.503 ' O ' HG13 ' B' ' 634' ' ' ILE . 8.1 mttm -67.21 -43.4 82.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -43.73 86.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.017 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.441 ' HB3' HG21 ' C' ' 634' ' ' ILE . 29.2 mt-10 -57.11 -54.78 42.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.089 0.471 . . . . 0.0 111.886 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.7 pp -63.28 -37.21 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.062 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 19.4 tptp -60.44 -46.41 90.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.477 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -39.9 88.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.964 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.1 mt -61.9 -39.62 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.753 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.422 ' HA ' HD21 ' A' ' 637' ' ' LEU . 7.1 mt -67.19 -40.97 86.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.44 -44.37 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.02 0.438 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.42 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.5 OUTLIER -60.92 -37.97 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.742 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 -45.78 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.28 89.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.219 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.93 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.47 -42.72 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -52.66 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.276 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.69 -39.23 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 111.226 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.539 HH22 HD12 ' B' ' 649' ' ' LEU . 0.7 OUTLIER -61.59 -40.92 96.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.018 -179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.539 HD12 HH22 ' B' ' 648' ' ' ARG . 0.3 OUTLIER -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.773 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.39 -38.51 84.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.696 ' O ' HG23 ' B' ' 655' ' ' VAL . 34.1 tp -64.65 -41.38 96.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.771 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.611 ' HG2' HD22 ' A' ' 651' ' ' LEU . 0.5 OUTLIER -57.57 -48.52 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.21 95.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.31 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.435 ' O ' HG13 ' B' ' 658' ' ' ILE . 2.3 tt0 -61.88 -40.68 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.547 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.696 HG23 ' O ' ' B' ' 651' ' ' LEU . 86.0 t -63.04 -40.06 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.44 -36.73 83.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.48 -45.39 87.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.534 HD11 HG13 ' C' ' 655' ' ' VAL . 0.0 OUTLIER -66.37 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.668 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' B' ' 659' ' ' LYS . 1.2 mmtt -68.7 -39.76 80.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.784 0.326 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -44.02 69.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.92 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.279 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.57 -33.36 60.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.545 ' O ' HG23 ' C' ' 609' ' ' VAL . 29.4 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -39.17 74.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.93 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.99 90.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.451 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.545 HG23 ' O ' ' C' ' 605' ' ' SER . 38.7 t -64.49 -43.4 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.65 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.46 -42.48 99.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.19 0.519 . . . . 0.0 111.834 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.22 -39.71 93.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.634 HD21 ' HB2' ' A' ' 613' ' ' ARG . 0.4 OUTLIER -61.96 -51.05 69.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.637 ' HB2' HD21 ' B' ' 612' ' ' LEU . 10.5 tpp180 -57.8 -44.7 86.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 17.9 p -62.44 -37.88 87.57 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.703 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -45.0 72.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.206 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.459 HG23 ' O ' ' C' ' 612' ' ' LEU . 62.0 t -65.32 -36.27 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -64.54 -49.4 71.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -41.11 96.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.5 tp -64.7 -37.03 86.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.86 -37.84 80.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -37.95 84.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.611 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' C' ' 619' ' ' LEU . 17.9 mt -67.62 -42.39 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 111.625 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.735 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.3 mp -60.08 -49.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.2 -32.2 72.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.215 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 52.3 m -73.12 -38.58 66.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.969 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.73 -35.15 74.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.94 -49.52 70.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.059 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.53 -45.09 92.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' C' ' 633' ' ' GLU . 0.9 OUTLIER -66.22 -30.94 71.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.76 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.506 ' O ' HG13 ' C' ' 634' ' ' ILE . 8.0 mttm -67.21 -43.3 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -43.73 86.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.992 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.465 ' HB3' HG21 ' A' ' 634' ' ' ILE . 29.1 mt-10 -57.08 -54.85 42.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.864 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.506 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.7 pp -63.28 -37.22 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.084 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 19.4 tptp -60.34 -46.46 89.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.452 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.87 88.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.1 mt -61.83 -39.59 92.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' B' ' 637' ' ' LEU . 7.1 mt -67.31 -40.9 86.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 8.7 m -61.05 -40.61 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.51 -44.44 71.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -60.9 -37.98 84.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.76 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.1 -45.88 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.36 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.234 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 1.1 tt0 -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.69 98.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.78 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' C' ' 646' ' ' LYS . 0.3 OUTLIER -60.24 -52.7 64.16 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.21 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.74 -39.16 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.206 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.548 HH22 HD12 ' C' ' 649' ' ' LEU . 0.7 OUTLIER -61.62 -40.86 96.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.099 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.548 HD12 HH22 ' C' ' 648' ' ' ARG . 0.3 OUTLIER -63.63 -45.3 90.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.34 -38.55 84.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.688 ' O ' HG23 ' C' ' 655' ' ' VAL . 34.1 tp -64.65 -41.34 96.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.603 ' HG2' HD22 ' B' ' 651' ' ' LEU . 0.5 OUTLIER -57.6 -48.48 79.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.115 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -44.26 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.296 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.451 ' O ' HG13 ' C' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.71 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.555 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.688 HG23 ' O ' ' C' ' 651' ' ' LEU . 85.6 t -63.05 -40.11 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.191 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.37 -36.69 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.56 -45.39 87.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.544 HD11 HG13 ' A' ' 655' ' ' VAL . 0.0 OUTLIER -66.34 -37.88 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -68.69 -39.77 80.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -43.98 69.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.92 79.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.41 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -75.59 -33.33 60.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t -72.77 -35.62 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.641 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.2 -51.63 51.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.93 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.18 82.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.2 -40.07 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.64 -48.7 73.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.745 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.478 ' HB3' HH21 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -59.09 -39.79 83.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.453 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 616' ' ' VAL . 5.0 mt -63.83 -43.06 97.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.068 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.553 ' HA ' HD21 ' C' ' 612' ' ' LEU . 0.0 OUTLIER -62.38 -41.15 98.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.641 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -30.38 70.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 111.174 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.3 t -66.42 -47.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -62.8 -46.37 88.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 -179.755 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 622' ' ' ILE . 47.7 mt-10 -60.57 -35.8 76.94 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.976 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.561 ' HG ' ' HD2' ' B' ' 620' ' ' ARG . 0.2 OUTLIER -66.62 -45.54 78.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.555 ' HD2' ' HG ' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.09 -30.76 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 16.3 m -67.94 -39.57 83.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.721 HG13 ' O ' ' A' ' 618' ' ' GLU . 3.6 mt -67.47 -40.98 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.559 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 624' ' ' GLU . 0.4 OUTLIER -60.66 -45.49 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.235 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 624' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 623' ' ' ILE . 2.5 mt-10 -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.21 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -49.8 68.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.049 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.467 ' HE1' ' HB3' ' B' ' 626' ' ' MET . 3.8 ttm -62.15 -35.08 77.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 5.0 tttp -65.0 -46.91 79.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 -42.93 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.598 ' HG3' HH22 ' A' ' 632' ' ' ARG . 1.5 mt-30 -66.17 -33.24 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.466 HE21 ' HG2' ' A' ' 631' ' ' LYS . 1.2 tt0 -69.19 -48.84 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 6.7 mmtt -63.92 -46.65 83.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 632' ' ' ARG . . . . . 0.598 HH22 ' HG3' ' A' ' 629' ' ' GLN . 1.5 ttp-105 -63.77 -45.22 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.948 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 629' ' ' GLN . 4.3 mt-10 -60.9 -49.23 78.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 111.911 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.869 ' HA ' HD12 ' A' ' 637' ' ' LEU . 1.0 OUTLIER -65.96 -32.37 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.108 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -64.08 -41.78 97.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.402 -179.525 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.64 -45.72 88.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.012 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 634' ' ' ILE . 1.8 mt -60.45 -41.26 93.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.414 HD12 HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.95 -42.39 99.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 644' ' ' GLU . 1.4 tt0 -64.27 -37.75 88.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.596 ' HG ' HD21 ' B' ' 641' ' ' LEU . 40.9 mt -62.21 -43.79 98.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.826 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.74 -39.08 93.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.435 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.562 ' OE1' ' HA ' ' A' ' 640' ' ' GLU . 8.0 mt-10 -65.53 -41.29 93.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.242 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.733 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 11.8 mt-10 -62.71 -37.47 86.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.826 ' O ' HD12 ' A' ' 649' ' ' LEU . 0.0 OUTLIER -65.28 -44.06 89.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.72 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.538 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 5.7 mmtp -62.09 -47.05 86.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.2 mt -65.49 -41.05 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.092 0.472 . . . . 0.0 111.21 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.516 HH22 ' HE3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -65.42 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.02 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -64.27 -46.2 84.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.721 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.538 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.683 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -64.08 -44.32 92.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.757 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' C' ' 651' ' ' LEU . 1.7 tt0 -66.44 -32.11 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.175 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -38.87 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.591 ' HB3' HG11 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -64.3 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.502 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' C' ' 654' ' ' GLU . 36.4 t -64.3 -41.42 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 111.148 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.11 -37.8 86.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' ASP . . . . . 0.524 ' HA ' ' HE3' ' A' ' 660' ' ' LYS . 0.4 OUTLIER -66.91 -42.57 85.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.751 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.546 HG21 HG21 ' C' ' 658' ' ' ILE . 16.3 mt -69.23 -33.58 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.666 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.6 -43.06 85.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.754 0.311 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 657' ' ' ASP . 45.9 mtmt -57.81 -53.63 56.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.08 -37.78 84.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.336 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.31 -32.15 73.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -31.0 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -51.64 51.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.89 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.12 82.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.468 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.21 -40.07 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.56 -48.74 73.89 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 111.767 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.466 ' HB3' HH21 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -58.97 -39.93 83.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.439 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.594 ' O ' HG23 ' B' ' 616' ' ' VAL . 5.0 mt -63.8 -43.04 97.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 111.16 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.551 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.0 OUTLIER -62.39 -41.1 98.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.045 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.17 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.669 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -30.54 70.61 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.108 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 612' ' ' LEU . 42.3 t -66.38 -47.52 83.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.225 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HA ' ' HD2' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -62.75 -46.37 88.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.35 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.712 ' O ' HG13 ' B' ' 622' ' ' ILE . 47.7 mt-10 -60.51 -35.85 76.97 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.549 ' HG ' ' HD2' ' C' ' 620' ' ' ARG . 0.2 OUTLIER -66.6 -45.49 79.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.561 ' HD2' ' HG ' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.14 -30.68 71.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.3 m -67.89 -39.62 83.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.712 HG13 ' O ' ' B' ' 618' ' ' GLU . 3.6 mt -67.42 -41.02 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.582 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 624' ' ' GLU . 0.5 OUTLIER -60.7 -45.45 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.215 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 624' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' B' ' 623' ' ' ILE . 2.5 mt-10 -61.46 -41.0 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.261 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.008 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.467 ' HB3' ' HE1' ' A' ' 626' ' ' MET . 3.8 ttm -62.22 -35.01 77.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.435 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 5.0 tttp -65.06 -46.98 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.84 -42.9 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.608 ' HG3' HH22 ' B' ' 632' ' ' ARG . 1.5 mt-30 -66.26 -33.19 75.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.47 HE21 ' HG2' ' B' ' 631' ' ' LYS . 1.2 tt0 -69.21 -48.8 61.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.543 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 6.7 mmtt -64.02 -46.65 83.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.608 HH22 ' HG3' ' B' ' 629' ' ' GLN . 1.5 ttp-105 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.945 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' B' ' 629' ' ' GLN . 4.3 mt-10 -60.92 -49.25 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.052 0.453 . . . . 0.0 111.871 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.861 ' HA ' HD12 ' B' ' 637' ' ' LEU . 1.0 OUTLIER -65.99 -32.33 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.077 179.261 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -64.09 -41.74 97.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.443 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.69 -45.68 88.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' B' ' 634' ' ' ILE . 1.8 mt -60.51 -41.22 93.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.403 HD12 HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 45.2 m -62.96 -42.42 99.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' B' ' 644' ' ' GLU . 1.4 tt0 -64.27 -37.72 88.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.596 HD21 ' HG ' ' A' ' 641' ' ' LEU . 41.1 mt -62.16 -43.83 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.817 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.74 -38.97 93.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.514 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' B' ' 640' ' ' GLU . 8.0 mt-10 -65.69 -41.25 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.188 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.743 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 11.8 mt-10 -62.66 -37.46 86.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.828 ' O ' HD12 ' B' ' 649' ' ' LEU . 0.0 OUTLIER -65.33 -44.05 89.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.698 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.556 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 5.7 mmtp -62.14 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.59 -40.94 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.104 0.478 . . . . 0.0 111.234 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.515 HH22 ' HE3' ' B' ' 645' ' ' LYS . 0.1 OUTLIER -65.52 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 -179.745 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.828 HD12 ' O ' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -64.27 -46.29 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.556 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -65.25 -32.35 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.716 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -64.08 -44.26 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.735 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.441 ' HA ' HD21 ' A' ' 651' ' ' LEU . 1.7 tt0 -66.49 -32.13 73.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.114 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -38.88 82.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.335 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.62 ' HB3' HG11 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -64.32 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.486 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 654' ' ' GLU . 36.8 t -64.3 -41.47 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.99 -37.89 86.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 657' ' ' ASP . . . . . 0.51 ' HA ' ' HE3' ' B' ' 660' ' ' LYS . 0.4 OUTLIER -66.84 -42.62 85.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.76 179.6 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.544 HG21 HG21 ' A' ' 658' ' ' ILE . 16.2 mt -69.22 -33.58 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.702 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.57 -43.02 86.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.786 0.327 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 660' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' B' ' 657' ' ' ASP . 45.9 mtmt -57.89 -53.64 55.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.76 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.344 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.16 73.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.738 0.304 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -51.67 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.9 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.07 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.428 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.22 -40.06 85.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.6 -48.68 74.0 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.207 0.527 . . . . 0.0 111.814 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.472 ' HB3' HH21 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -59.13 -39.76 83.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 179.437 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.596 ' O ' HG23 ' C' ' 616' ' ' VAL . 5.0 mt -63.88 -43.06 97.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.566 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -62.34 -41.17 98.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.041 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -46.27 90.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.629 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -30.4 70.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.596 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.3 t -66.45 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -62.81 -46.35 88.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.376 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.703 ' O ' HG13 ' C' ' 622' ' ' ILE . 47.7 mt-10 -60.53 -35.88 77.05 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.555 ' HG ' ' HD2' ' A' ' 620' ' ' ARG . 0.2 OUTLIER -66.52 -45.55 79.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.549 ' HD2' ' HG ' ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.1 -30.77 71.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 16.3 m -67.9 -39.55 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.604 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.703 HG13 ' O ' ' C' ' 618' ' ' GLU . 3.5 mt -67.52 -40.96 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.582 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' C' ' 624' ' ' GLU . 0.4 OUTLIER -60.7 -45.43 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.203 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 624' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' C' ' 623' ' ' ILE . 2.5 mt-10 -61.54 -40.94 96.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -49.76 68.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.037 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.467 ' HB3' ' HE1' ' B' ' 626' ' ' MET . 3.8 ttm -62.17 -35.08 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 5.0 tttp -65.05 -46.91 79.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.87 -42.96 84.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.601 ' HG3' HH22 ' C' ' 632' ' ' ARG . 1.5 mt-30 -66.17 -33.17 75.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.461 HE21 ' HG2' ' C' ' 631' ' ' LYS . 1.2 tt0 -69.27 -48.81 60.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 6.7 mmtt -63.94 -46.69 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 632' ' ' ARG . . . . . 0.601 HH22 ' HG3' ' C' ' 629' ' ' GLN . 1.4 ttp-105 -63.69 -45.19 91.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.035 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.586 ' HB2' ' O ' ' C' ' 629' ' ' GLN . 4.3 mt-10 -60.93 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.836 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.875 ' HA ' HD12 ' C' ' 637' ' ' LEU . 1.0 OUTLIER -65.98 -32.32 57.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.087 179.251 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -64.14 -41.65 97.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -63.7 -45.75 88.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.013 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' C' ' 634' ' ' ILE . 1.8 mt -60.38 -41.24 93.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.795 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.418 HD12 HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -62.02 -42.56 99.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.88 -42.51 99.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' C' ' 644' ' ' GLU . 1.4 tt0 -64.25 -37.66 88.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.592 ' HG ' HD21 ' A' ' 641' ' ' LEU . 41.0 mt -62.22 -43.87 97.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.774 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.75 -38.95 93.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.486 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.574 ' OE1' ' HA ' ' C' ' 640' ' ' GLU . 8.0 mt-10 -65.63 -41.26 92.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.19 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.749 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 11.8 mt-10 -62.7 -37.54 86.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.81 ' O ' HD12 ' C' ' 649' ' ' LEU . 0.0 OUTLIER -65.24 -44.11 89.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.668 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.547 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 5.6 mmtp -62.06 -47.07 86.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 48.4 mt -65.57 -40.95 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.138 0.494 . . . . 0.0 111.221 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.522 HH22 ' HE3' ' C' ' 645' ' ' LYS . 0.1 OUTLIER -65.46 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.065 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.81 HD12 ' O ' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -64.26 -46.28 84.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.714 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.547 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -65.31 -32.31 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.688 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -64.06 -44.32 92.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.445 ' HA ' HD21 ' B' ' 651' ' ' LEU . 1.7 tt0 -66.45 -32.07 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.177 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -38.83 82.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.38 . . . . 0.0 111.334 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.617 ' HB3' HG11 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -64.28 -38.59 91.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.456 179.589 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' B' ' 654' ' ' GLU . 36.8 t -64.26 -41.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.186 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.12 -37.82 86.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 657' ' ' ASP . . . . . 0.513 ' HA ' ' HE3' ' C' ' 660' ' ' LYS . 0.4 OUTLIER -66.86 -42.7 85.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.546 HG21 HG21 ' A' ' 658' ' ' ILE . 16.1 mt -69.14 -33.68 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.5 -43.09 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 660' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' C' ' 657' ' ' ASP . 45.9 mtmt -57.87 -53.59 56.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 661' ' ' ALA . . . . . 0.602 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -67.09 -37.81 84.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -31.04 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.791 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -43.86 52.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.405 ' HA ' HE21 ' B' ' 606' ' ' GLN . 9.3 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.779 0.323 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' C' ' 605' ' ' SER . 2.8 mm-40 -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.55 97.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.6 82.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.479 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' C' ' 612' ' ' LEU . 0.2 OUTLIER -64.42 -34.89 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.06 -53.21 58.76 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 111.799 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.27 -40.73 74.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.397 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 616' ' ' VAL . 72.5 mt -63.06 -40.42 97.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 613' ' ' ARG . 15.7 ttm-85 -59.05 -40.84 86.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -46.51 81.48 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -67.39 -33.04 74.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 111.137 -179.452 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.0 t -63.3 -48.89 85.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -42.75 87.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.317 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -65.4 -35.38 80.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.656 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -64.91 -40.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.669 ' HA ' HD12 ' A' ' 623' ' ' ILE . 17.2 ttt180 -66.48 -40.29 89.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 10.1 t -63.78 -30.54 71.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.626 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 619' ' ' LEU . 58.5 mt -67.62 -45.73 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.0 mt -66.19 -39.29 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.217 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.32 -47.18 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.957 0.408 . . . . 0.0 111.282 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.54 -50.58 66.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.011 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.521 ' SD ' HG22 ' B' ' 623' ' ' ILE . 14.3 mtt -56.86 -40.25 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.42 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 4.4 tmtm? -62.99 -45.55 91.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -37.53 81.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.048 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.484 ' HG3' ' NZ ' ' B' ' 631' ' ' LYS . 4.3 tp-100 -67.96 -50.09 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -36.95 80.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.537 ' HZ1' ' HG3' ' C' ' 629' ' ' GLN . 6.4 mmtt -65.85 -39.71 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 632' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -61.69 -35.44 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.95 179.677 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' B' ' 634' ' ' ILE . 28.8 mt-10 -73.07 -38.68 66.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.043 0.449 . . . . 0.0 111.884 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.42 HG21 ' HB3' ' C' ' 633' ' ' GLU . 65.6 mt -64.62 -41.99 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 631' ' ' LYS . 0.5 OUTLIER -60.33 -48.07 83.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.463 -179.56 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -40.96 95.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.7 OUTLIER -59.5 -43.5 93.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 179.627 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 5.3 mt -66.14 -41.83 89.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.147 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.074 0.464 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.438 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.44 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.752 179.577 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.12 -39.92 91.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.487 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.91 -43.62 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.267 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.72 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -68.19 -37.43 80.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.917 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.705 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.8 mttm -60.93 -42.86 98.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.691 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.563 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -63.21 -48.71 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 -179.662 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 34.1 mt -62.07 -34.72 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 111.229 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.462 ' HE ' ' HG2' ' C' ' 644' ' ' GLU . 4.2 tmm_? -66.38 -49.67 66.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.404 ' HG ' HH12 ' A' ' 648' ' ' ARG . 5.1 mt -56.47 -46.4 80.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.3 79.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.4 OUTLIER -61.99 -49.72 74.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.733 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.501 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.3 tt0 -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.15 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.23 -45.04 96.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' A' ' 658' ' ' ILE . 53.9 t -60.9 -39.36 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.69 -36.13 79.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -50.74 38.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.7 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.708 HG13 HD22 ' B' ' 662' ' ' LEU . 4.8 tt -63.29 -40.03 87.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.686 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.495 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 13.2 tttt -65.97 -44.03 86.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -48.01 80.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.06 81.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.695 HD22 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.56 -37.45 86.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.557 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -33.81 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.431 ' HA ' HE21 ' C' ' 606' ' ' GLN . 9.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 606' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 605' ' ' SER . 2.8 mm-40 -67.1 -35.42 79.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.53 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.64 82.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.465 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 612' ' ' LEU . 0.2 OUTLIER -64.41 -34.97 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.22 58.59 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.144 0.497 . . . . 0.0 111.745 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.2 -40.68 74.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 616' ' ' VAL . 72.4 mt -63.17 -40.33 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -59.11 -40.78 86.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -46.47 81.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.634 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -67.42 -32.94 74.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 111.119 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 612' ' ' LEU . 41.7 t -63.36 -48.9 85.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -42.82 87.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.434 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.3 OUTLIER -65.37 -35.39 80.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.704 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -64.82 -40.42 95.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.671 ' HA ' HD12 ' B' ' 623' ' ' ILE . 17.2 ttt180 -66.5 -40.25 89.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.93 -30.37 71.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' B' ' 619' ' ' LEU . 58.3 mt -67.74 -45.65 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.625 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.0 mt -66.2 -39.34 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.22 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.31 -47.21 87.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.238 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.52 -50.54 66.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.027 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.514 ' SD ' HG22 ' C' ' 623' ' ' ILE . 14.3 mtt -56.94 -40.19 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.421 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 4.5 tmtm? -63.05 -45.51 91.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.95 -37.49 81.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.505 ' HG3' ' HZ1' ' C' ' 631' ' ' LYS . 4.3 tp-100 -68.02 -50.16 57.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.96 80.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.484 ' NZ ' ' HG3' ' A' ' 629' ' ' GLN . 6.3 mmtt -65.91 -39.67 90.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -61.75 -35.35 77.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.947 179.699 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' C' ' 634' ' ' ILE . 28.7 mt-10 -73.17 -38.6 66.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 111.865 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 633' ' ' GLU . 65.6 mt -64.67 -41.96 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.07 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.449 -179.518 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.7 OUTLIER -59.6 -43.47 93.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 5.3 mt -66.13 -41.83 89.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 111.132 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.26 -42.09 99.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.49 89.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.763 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.09 -39.9 91.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.543 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.408 ' O ' HG13 ' B' ' 647' ' ' ILE . 42.1 mm-40 -65.81 -43.7 87.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.282 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.721 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -68.25 -37.46 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.72 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.8 mttm -60.81 -42.88 98.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -63.25 -48.66 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.627 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 643' ' ' GLU . 34.2 mt -62.16 -34.67 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.093 0.473 . . . . 0.0 111.211 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.453 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 4.2 tmm_? -66.43 -49.64 66.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.403 ' HG ' HH12 ' B' ' 648' ' ' ARG . 5.2 mt -56.47 -46.46 80.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.726 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.54 -35.34 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.4 OUTLIER -62.06 -49.65 75.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.714 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.3 tt0 -58.69 -37.5 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.14 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -40.23 93.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.246 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.2 -45.11 95.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.451 ' HA ' HG22 ' B' ' 658' ' ' ILE . 53.9 t -60.92 -39.31 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.156 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.62 -36.23 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -50.71 38.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.696 HG13 HD22 ' C' ' 662' ' ' LEU . 4.8 tt -63.28 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.512 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 13.1 tttt -65.94 -44.06 86.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -48.01 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.708 HD22 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -65.49 -37.5 87.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 179.517 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -33.85 49.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.995 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.415 ' HA ' HE21 ' A' ' 606' ' ' GLN . 9.3 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.75 0.309 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 606' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' B' ' 605' ' ' SER . 2.8 mm-40 -67.1 -35.38 79.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.48 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.68 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.425 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' B' ' 612' ' ' LEU . 0.2 OUTLIER -64.52 -34.89 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 -179.425 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.24 58.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 111.768 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.17 -40.76 74.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.426 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.608 ' O ' HG23 ' C' ' 616' ' ' VAL . 72.7 mt -63.07 -40.44 97.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.116 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' C' ' 613' ' ' ARG . 15.8 ttm-85 -59.02 -40.82 86.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.066 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -46.58 80.96 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.588 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -67.24 -33.03 74.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.52 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.608 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.0 t -63.29 -48.87 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -42.87 87.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.338 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.431 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.3 OUTLIER -65.41 -35.28 80.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.698 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -65.01 -40.23 94.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.666 ' HA ' HD12 ' C' ' 623' ' ' ILE . 17.2 ttt180 -66.59 -40.24 88.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.88 -30.39 71.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.653 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' C' ' 619' ' ' LEU . 58.4 mt -67.69 -45.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.0 mt -66.21 -39.29 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.2 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.37 -47.09 87.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.243 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.63 -50.48 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 623' ' ' ILE . 14.3 mtt -57.03 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.419 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 4.4 tmtm? -63.03 -45.52 91.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.89 -37.6 81.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.537 ' HG3' ' HZ1' ' A' ' 631' ' ' LYS . 4.3 tp-100 -67.93 -50.12 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -36.87 80.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.983 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.505 ' HZ1' ' HG3' ' B' ' 629' ' ' GLN . 6.4 mmtt -65.89 -39.76 90.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 632' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -61.65 -35.43 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.42 ' HB3' HG21 ' A' ' 634' ' ' ILE . 28.8 mt-10 -73.07 -38.67 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.02 0.438 . . . . 0.0 111.871 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' B' ' 633' ' ' GLU . 65.5 mt -64.63 -41.94 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.109 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' C' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.425 -179.513 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -40.87 95.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.7 OUTLIER -59.55 -43.47 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 5.3 mt -66.21 -41.75 89.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 12.8 p -61.86 -38.44 88.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.28 -42.01 98.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.429 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.44 -38.44 89.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.13 -39.87 91.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.517 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.402 ' O ' HG13 ' C' ' 647' ' ' ILE . 42.0 mm-40 -65.98 -43.55 87.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.251 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.705 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -68.28 -37.5 80.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.813 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.721 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.8 mttm -60.78 -42.84 98.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.742 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.558 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -63.27 -48.69 77.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.25 -179.647 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.402 HG13 ' O ' ' C' ' 643' ' ' GLU . 34.3 mt -62.02 -34.79 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.052 0.453 . . . . 0.0 111.193 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.447 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 4.2 tmm_? -66.4 -49.58 66.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.064 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.416 ' HG ' HH12 ' C' ' 648' ' ' ARG . 5.1 mt -56.59 -46.28 80.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.35 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.05 -49.64 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.51 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.3 tt0 -58.79 -37.48 76.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -40.19 93.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.18 -45.15 95.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.49 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.452 ' HA ' HG22 ' C' ' 658' ' ' ILE . 53.7 t -60.84 -39.42 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -61.58 -36.19 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -50.78 38.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.736 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.695 HG13 HD22 ' A' ' 662' ' ' LEU . 4.8 tt -63.22 -40.05 87.57 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.69 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.513 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 13.2 tttt -65.94 -44.11 86.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.98 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.696 HD22 HG13 ' B' ' 658' ' ' ILE . 0.2 OUTLIER -65.53 -37.45 86.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -33.82 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 19.6 m -65.56 -44.76 85.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.451 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 609' ' ' VAL . 15.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -64.2 -33.69 76.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.58 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.49 92.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.367 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 605' ' ' SER . 4.0 t -63.2 -37.27 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.72 -41.0 98.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.175 0.512 . . . . 0.0 111.826 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.47 -38.95 93.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.425 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 616' ' ' VAL . 28.5 mt -64.75 -38.67 91.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 0.0 111.086 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.48 -39.15 89.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.005 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -45.99 88.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.621 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 619' ' ' LEU . 28.5 tt0 -71.78 -34.57 69.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.999 0.428 . . . . 0.0 111.14 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 612' ' ' LEU . 89.8 t -65.66 -48.34 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -49.38 72.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.328 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.99 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.5 ' CD1' ' HG2' ' A' ' 615' ' ' GLN . 0.0 OUTLIER -57.5 -43.42 84.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.042 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 624' ' ' GLU . 0.6 OUTLIER -60.63 -35.32 75.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 621' ' ' SER . . . . . 0.684 ' O ' HG23 ' A' ' 625' ' ' THR . 9.3 t -68.12 -29.6 68.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.56 -34.78 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.623 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.494 HD11 HD23 ' C' ' 619' ' ' LEU . 2.0 mt -68.73 -43.05 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 624' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 6.7 mm-40 -67.17 -38.22 85.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 621' ' ' SER . 80.3 p -67.5 -53.21 30.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.488 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 26.9 mtt -61.19 -38.05 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.7 OUTLIER -60.52 -43.45 97.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.032 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.92 -45.17 90.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.75 -40.21 75.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.809 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.56 70.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 10.1 mmtm -67.23 -36.91 82.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -46.72 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.006 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' B' ' 634' ' ' ILE . 20.9 mt-10 -64.95 -36.9 85.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 111.918 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' C' ' 633' ' ' GLU . 40.4 mt -66.32 -43.67 91.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.065 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -43.1 95.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.431 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 638' ' ' LEU . 0.5 OUTLIER -62.5 -30.19 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.468 ' HA ' HD21 ' C' ' 637' ' ' LEU . 3.1 mt -68.4 -45.4 72.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 639' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -63.77 -36.87 85.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.445 ' OE2' HD22 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -64.18 -39.35 93.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.088 0.47 . . . . 0.0 110.872 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.51 -41.33 84.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.782 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.17 -34.85 79.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.468 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 639' ' ' SER . 41.1 mm-40 -61.94 -50.52 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.562 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 3.1 tt0 -64.44 -33.52 76.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.56 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.1 mttm -60.95 -45.56 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -62.03 -45.78 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.48 -39.43 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 121.103 0.478 . . . . 0.0 111.153 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.519 HH21 ' HA ' ' C' ' 644' ' ' GLU . 4.4 tmm_? -64.68 -40.8 96.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.041 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -47.77 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -63.19 -35.73 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.658 HD21 HG21 ' B' ' 655' ' ' VAL . 2.7 tt -60.04 -50.95 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.469 ' N ' HD11 ' C' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.1 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.141 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 54.8 mmm -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.39 -39.96 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.517 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.671 HG21 HD21 ' C' ' 651' ' ' LEU . 5.4 t -65.11 -38.84 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.247 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -66.65 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.02 -51.79 59.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.47 ' HB ' ' HE3' ' B' ' 659' ' ' LYS . 2.4 tt -64.57 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.671 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.485 ' HE3' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.23 -44.76 82.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.812 0.339 . . . . 0.0 111.042 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -49.21 78.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.91 71.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.369 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.447 HD13 HG13 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -68.77 -41.81 78.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.533 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.43 60.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 609' ' ' VAL . 14.9 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.76 0.314 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -64.14 -33.79 76.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.55 89.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.49 92.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.407 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 605' ' ' SER . 4.0 t -63.23 -37.19 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.88 -40.98 99.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.171 0.51 . . . . 0.0 111.754 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.33 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.476 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.834 ' O ' HG23 ' B' ' 616' ' ' VAL . 28.6 mt -64.79 -38.59 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 111.154 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 613' ' ' ARG . 13.7 ttm180 -61.6 -39.1 90.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.001 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -45.92 88.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.632 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' B' ' 619' ' ' LEU . 28.4 tt0 -71.79 -34.57 69.52 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 612' ' ' LEU . 90.1 t -65.65 -48.4 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -49.39 72.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.367 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -35.94 80.85 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.951 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' B' ' 615' ' ' GLN . 0.0 OUTLIER -57.56 -43.42 84.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' B' ' 624' ' ' GLU . 0.6 OUTLIER -60.6 -35.39 76.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 621' ' ' SER . . . . . 0.69 ' O ' HG23 ' B' ' 625' ' ' THR . 9.2 t -68.08 -29.61 68.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.597 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.53 -34.81 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.606 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 619' ' ' LEU . 2.0 mt -68.67 -43.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 6.7 mm-40 -67.22 -38.24 84.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.223 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 625' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 621' ' ' SER . 79.6 p -67.4 -53.27 30.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.078 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.482 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 26.9 mtt -61.1 -38.15 85.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.488 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.7 OUTLIER -60.46 -43.44 96.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -63.82 -45.25 90.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -56.82 -40.17 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -37.54 70.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.973 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 10.2 mmtm -67.11 -36.95 83.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -46.73 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.914 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.413 ' HB3' HG21 ' C' ' 634' ' ' ILE . 20.9 mt-10 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.819 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.7 mt -66.22 -43.74 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.045 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -43.2 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.411 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.955 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' C' ' 638' ' ' LEU . 0.5 OUTLIER -62.61 -30.06 71.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.772 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.483 ' HA ' HD21 ' A' ' 637' ' ' LEU . 3.1 mt -68.46 -45.37 72.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 639' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -63.78 -36.87 85.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 179.754 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.447 ' OE2' HD22 ' C' ' 641' ' ' LEU . 1.0 OUTLIER -64.19 -39.36 93.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.666 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.46 -41.4 84.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.763 179.6 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.12 -34.96 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.441 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 639' ' ' SER . 41.1 mm-40 -61.92 -50.47 72.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.243 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.58 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 3.1 tt0 -64.55 -33.35 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.562 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.1 mttm -61.05 -45.54 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.712 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -61.99 -45.86 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.47 -39.37 85.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 111.192 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.516 HH21 ' HA ' ' A' ' 644' ' ' GLU . 4.3 tmm_? -64.69 -40.86 96.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -47.94 83.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.05 -35.81 81.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.665 HD21 HG21 ' C' ' 655' ' ' VAL . 2.7 tt -60.02 -50.97 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.738 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.474 ' N ' HD11 ' A' ' 651' ' ' LEU . 1.6 tt0 -57.65 -37.05 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 55.1 mmm -64.91 -34.72 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 111.308 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.4 -39.98 85.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.468 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 651' ' ' LEU . 5.5 t -65.16 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -66.67 -35.2 79.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.06 -51.77 59.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.484 ' HB ' ' HE3' ' C' ' 659' ' ' LYS . 2.4 tt -64.61 -29.35 47.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.664 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.47 ' HE3' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.2 -44.79 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -49.31 78.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.87 71.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.373 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.457 HD13 HG13 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -68.8 -41.79 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -28.5 59.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.541 ' O ' HG23 ' C' ' 609' ' ' VAL . 15.0 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.756 0.312 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -64.18 -33.84 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.57 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.35 91.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.421 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.541 HG23 ' O ' ' C' ' 605' ' ' SER . 4.0 t -63.24 -37.28 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.76 -41.01 99.02 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.175 0.512 . . . . 0.0 111.793 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.45 -38.92 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.398 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.848 ' O ' HG23 ' C' ' 616' ' ' VAL . 28.7 mt -64.75 -38.62 91.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.198 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' C' ' 613' ' ' ARG . 13.6 ttm180 -61.51 -39.18 90.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.89 89.11 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.684 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.503 ' HG2' ' CD1' ' C' ' 619' ' ' LEU . 28.5 tt0 -71.84 -34.49 69.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.97 0.414 . . . . 0.0 111.166 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.848 HG23 ' O ' ' C' ' 612' ' ' LEU . 89.3 t -65.76 -48.29 82.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -36.01 80.8 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.023 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.503 ' CD1' ' HG2' ' C' ' 615' ' ' GLN . 0.0 OUTLIER -57.57 -43.43 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' C' ' 624' ' ' GLU . 0.6 OUTLIER -60.54 -35.35 75.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.031 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 621' ' ' SER . . . . . 0.698 ' O ' HG23 ' C' ' 625' ' ' THR . 9.3 t -68.13 -29.62 68.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.593 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.51 -34.77 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.696 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 2.1 mt -68.73 -43.04 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 6.7 mm-40 -67.19 -38.14 84.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 625' ' ' THR . . . . . 0.698 HG23 ' O ' ' C' ' 621' ' ' SER . 80.4 p -67.53 -53.33 29.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.477 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 26.9 mtt -61.09 -38.07 84.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.8 OUTLIER -60.52 -43.48 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -63.83 -45.25 90.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -56.78 -40.19 75.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.781 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -37.58 71.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 10.1 mmtm -67.16 -36.93 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -46.74 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.424 ' HB3' HG21 ' A' ' 634' ' ' ILE . 20.9 mt-10 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.051 0.453 . . . . 0.0 111.864 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.6 mt -66.25 -43.76 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.055 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -43.28 95.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.417 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -42.74 99.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 638' ' ' LEU . 0.5 OUTLIER -62.55 -30.16 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.714 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 637' ' ' LEU . 3.1 mt -68.44 -45.4 72.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.109 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 639' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -63.73 -36.85 85.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.75 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.452 ' OE2' HD22 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -64.16 -39.42 93.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.666 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -67.4 -41.36 85.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.829 179.571 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.2 -34.88 79.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.453 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' C' ' 639' ' ' SER . 41.0 mm-40 -61.91 -50.55 71.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.206 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.56 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 3.1 tt0 -64.5 -33.43 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.58 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.1 mttm -60.98 -45.52 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.505 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -62.0 -45.84 91.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.46 -39.36 85.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 111.216 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.526 HH21 ' HA ' ' B' ' 644' ' ' GLU . 4.3 tmm_? -64.67 -40.78 96.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -47.88 84.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -63.17 -35.79 81.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.671 HD21 HG21 ' A' ' 655' ' ' VAL . 2.7 tt -59.99 -50.97 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.468 ' N ' HD11 ' B' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.04 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.174 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 54.6 mmm -64.99 -34.7 79.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.47 -39.83 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.665 HG21 HD21 ' B' ' 651' ' ' LEU . 5.5 t -65.25 -38.82 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -66.65 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.97 -51.92 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.485 ' HB ' ' HE3' ' A' ' 659' ' ' LYS . 2.4 tt -64.53 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.681 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.484 ' HE3' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.15 -44.75 83.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.057 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -49.21 78.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.88 71.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.445 HD13 HG13 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -68.84 -41.75 78.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.48 60.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.56 -27.89 68.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.075 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' GLN . . . . . 0.743 ' OE1' ' HA ' ' A' ' 606' ' ' GLN . 0.0 OUTLIER -69.93 -32.39 70.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.37 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.463 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 605' ' ' SER . 34.6 t -63.36 -41.2 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.56 -43.18 99.45 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.145 0.498 . . . . 0.0 111.811 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.97 -44.06 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.408 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' B' ' 613' ' ' ARG . 34.5 mt -63.84 -34.94 79.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.471 ' HG3' HD21 ' C' ' 612' ' ' LEU . 16.2 ttm-85 -62.45 -44.01 97.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -48.15 83.16 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.567 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.401 ' HG3' ' CZ ' ' B' ' 620' ' ' ARG . 2.1 tt0 -67.58 -38.14 83.63 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.977 0.417 . . . . 0.0 111.15 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 612' ' ' LEU . 11.0 t -61.48 -49.66 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.416 ' NH1' ' HG3' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -64.0 -46.36 84.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.362 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -30.49 71.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.994 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.516 ' HG ' ' HG3' ' B' ' 620' ' ' ARG . 0.0 OUTLIER -62.14 -48.75 78.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.037 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.931 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -63.41 -44.74 93.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -37.17 70.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.667 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.624 HG22 ' SD ' ' A' ' 626' ' ' MET . 56.3 mt -68.46 -40.88 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.554 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 620' ' ' ARG . 7.8 mt -61.67 -41.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.216 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 624' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 9.4 mm-40 -61.72 -42.51 99.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -44.42 96.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.976 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.624 ' SD ' HG22 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.45 -45.87 82.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.79 -27.1 60.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.7 65.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.442 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.66 -36.06 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.427 ' HD3' ' HA ' ' A' ' 631' ' ' LYS . 8.4 mmtt -62.93 -48.33 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 632' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -62.63 -37.05 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.025 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.54 -43.13 85.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.061 0.458 . . . . 0.0 111.89 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.502 HG23 HD12 ' C' ' 637' ' ' LEU . 55.4 mt -66.45 -32.93 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.078 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.848 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.1 -44.39 88.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.492 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -38.01 86.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.481 HD12 HG23 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -63.98 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.615 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 635' ' ' LYS . 2.2 mt -62.88 -48.73 77.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.6 -32.05 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.432 ' HB3' HD13 ' B' ' 641' ' ' LEU . 11.6 tt0 -68.27 -41.48 80.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 110.937 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.3 OUTLIER -66.34 -39.25 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.756 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.34 -46.67 89.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.509 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.26 -44.28 88.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.25 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.592 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 2.3 tt0 -70.33 -33.0 70.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.587 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 2.7 mttt -64.6 -46.91 80.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -45.04 95.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.44 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 121.079 0.466 . . . . 0.0 111.227 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.41 HH12 ' HG ' ' A' ' 649' ' ' LEU . 0.9 OUTLIER -68.1 -38.38 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.043 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.41 ' HG ' HH12 ' A' ' 648' ' ' ARG . 1.3 mt -63.94 -44.34 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.34 -28.74 68.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -63.7 -50.09 70.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.556 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.5 tt0 -60.83 -40.66 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.203 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 32.5 mmm -61.72 -39.04 90.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.331 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.469 ' O ' HG22 ' A' ' 658' ' ' ILE . 48.0 tt0 -66.11 -37.4 85.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.522 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.7 t -70.05 -38.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.162 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -64.65 -42.34 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.06 -51.47 67.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 1.008 HG13 HD22 ' B' ' 662' ' ' LEU . 13.6 tt -65.8 -30.88 51.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.718 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.689 ' HA ' HD12 ' C' ' 658' ' ' ILE . 3.6 tttt -67.95 -40.31 83.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -37.73 88.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.431 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -70.93 -39.82 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.362 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 1.049 HD22 HG13 ' C' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.26 -26.58 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.529 ' O ' HG23 ' B' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.796 0.331 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 606' ' ' GLN . . . . . 0.728 ' HA ' ' OE1' ' B' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.35 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.807 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.78 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.477 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 605' ' ' SER . 34.4 t -63.37 -41.15 91.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.58 -43.18 99.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.102 0.477 . . . . 0.0 111.793 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.519 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' C' ' 613' ' ' ARG . 34.5 mt -63.86 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.127 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.474 ' HG3' HD21 ' A' ' 612' ' ' LEU . 16.2 ttm-85 -62.44 -44.03 97.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -48.08 83.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.65 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.402 ' HG3' ' CZ ' ' C' ' 620' ' ' ARG . 2.1 tt0 -67.59 -38.1 83.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 612' ' ' LEU . 11.0 t -61.53 -49.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -64.1 -46.34 84.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.308 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -30.58 71.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.523 ' HG ' ' HG3' ' C' ' 620' ' ' ARG . 0.0 OUTLIER -62.13 -48.74 78.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.943 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -63.43 -44.75 93.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -37.28 70.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.639 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.626 HG22 ' SD ' ' B' ' 626' ' ' MET . 56.4 mt -68.4 -40.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.048 0.452 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' B' ' 620' ' ' ARG . 7.8 mt -61.65 -41.8 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 624' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 9.5 mm-40 -61.68 -42.48 98.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.266 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -44.34 97.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.017 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.626 ' SD ' HG22 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -69.16 -29.48 67.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.42 -45.91 82.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.77 -27.08 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.79 65.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.754 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.44 ' HB3' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -68.66 -35.94 77.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.054 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 8.4 mmtt -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.441 ' N ' ' HD2' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -62.66 -37.04 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.007 179.714 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.5 -43.11 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.057 0.456 . . . . 0.0 111.943 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.481 HG23 HD12 ' A' ' 637' ' ' LEU . 55.4 mt -66.44 -32.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.866 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.05 -44.48 88.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.461 -179.561 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -37.97 85.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.498 HD12 HG23 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -64.07 -38.71 92.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' B' ' 635' ' ' LYS . 2.2 mt -62.82 -48.76 77.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.54 -32.12 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.437 ' HB3' HD13 ' C' ' 641' ' ' LEU . 11.7 tt0 -68.36 -41.54 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.3 OUTLIER -66.2 -39.3 89.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.768 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.36 -46.65 89.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.499 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -44.31 88.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.269 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.611 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 2.3 tt0 -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.592 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 2.7 mttt -64.63 -46.94 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.09 95.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.42 -35.32 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 111.168 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.412 HH12 ' HG ' ' B' ' 649' ' ' LEU . 0.9 OUTLIER -68.12 -38.35 82.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.058 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.412 ' HG ' HH12 ' B' ' 648' ' ' ARG . 1.3 mt -64.04 -44.32 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.31 -28.79 68.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.693 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -63.58 -50.16 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.55 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.5 tt0 -60.86 -40.65 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 32.6 mmm -61.69 -39.08 90.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.358 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.482 ' O ' HG22 ' B' ' 658' ' ' ILE . 47.9 tt0 -66.07 -37.45 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.509 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.7 t -70.04 -38.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 111.162 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -64.56 -42.42 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.05 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 1.046 HG13 HD22 ' C' ' 662' ' ' LEU . 13.6 tt -65.76 -30.95 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.66 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 658' ' ' ILE . 3.6 tttt -67.9 -40.36 83.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.79 88.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -70.89 -39.79 72.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.332 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 1.008 HD22 HG13 ' A' ' 658' ' ' ILE . 2.3 tp -66.28 -33.63 76.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -26.61 35.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.521 ' O ' HG23 ' C' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.752 0.31 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 606' ' ' GLN . . . . . 0.733 ' HA ' ' OE1' ' C' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.37 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.75 79.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.435 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.521 HG23 ' O ' ' C' ' 605' ' ' SER . 34.5 t -63.42 -41.1 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.72 -43.04 99.82 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.147 0.499 . . . . 0.0 111.746 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -43.9 91.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.433 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.471 HD21 ' HG3' ' A' ' 613' ' ' ARG . 34.4 mt -63.9 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.107 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.466 ' HG3' HD21 ' B' ' 612' ' ' LEU . 16.2 ttm-85 -62.48 -44.04 97.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.02 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -48.03 83.68 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.686 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.66 -38.09 83.29 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.109 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.435 HG23 ' O ' ' C' ' 612' ' ' LEU . 10.8 t -61.59 -49.56 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -64.06 -46.42 84.44 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.321 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.533 ' HG ' ' HG3' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -62.08 -48.81 78.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.923 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -63.42 -44.75 93.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.634 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.618 HG22 ' SD ' ' C' ' 626' ' ' MET . 56.0 mt -68.51 -40.83 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.61 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' C' ' 620' ' ' ARG . 7.8 mt -61.66 -41.87 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 624' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 9.6 mm-40 -61.7 -42.51 99.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.193 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -44.46 96.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.998 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.618 ' SD ' HG22 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -69.13 -29.48 67.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.5 -45.74 82.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.86 -27.09 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.016 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.75 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.773 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.442 ' HG2' ' HB3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -68.6 -36.05 78.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' C' ' 631' ' ' LYS . 8.4 mmtt -62.96 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 632' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -62.58 -37.12 84.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.974 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.55 -43.11 85.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.929 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.498 HG23 HD12 ' B' ' 637' ' ' LEU . 55.5 mt -66.34 -32.91 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.18 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.838 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.17 -44.47 88.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.51 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -38.0 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.502 HD12 HG23 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -64.06 -38.66 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' C' ' 635' ' ' LYS . 2.2 mt -62.86 -48.78 77.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 23.4 p -60.6 -32.02 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.426 ' HB3' HD13 ' A' ' 641' ' ' LEU . 11.6 tt0 -68.33 -41.53 80.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.3 OUTLIER -66.27 -39.2 89.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.818 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.42 -46.65 89.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.496 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.23 -44.3 88.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.277 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.587 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 2.3 tt0 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.611 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 2.7 mttt -64.71 -46.9 80.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.11 95.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.256 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 18.9 mt -65.42 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.059 0.457 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.409 HH12 ' HG ' ' C' ' 649' ' ' LEU . 0.9 OUTLIER -68.16 -38.3 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.044 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.409 ' HG ' HH12 ' C' ' 648' ' ' ARG . 1.3 mt -64.03 -44.37 92.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.28 -28.8 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.667 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.685 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -63.58 -50.14 70.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.767 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.561 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.6 tt0 -60.87 -40.66 93.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 32.6 mmm -61.7 -38.98 89.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.475 ' O ' HG22 ' C' ' 658' ' ' ILE . 48.0 tt0 -66.19 -37.31 85.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.536 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.685 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.7 t -70.09 -38.21 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.133 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -64.64 -42.36 95.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.1 -51.46 67.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.785 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 1.049 HG13 HD22 ' A' ' 662' ' ' LEU . 13.5 tt -65.8 -30.97 51.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.614 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' B' ' 658' ' ' ILE . 3.6 tttt -67.88 -40.29 83.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -37.74 88.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 661' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 662' ' ' LEU . . . -70.89 -39.8 72.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 1.046 HD22 HG13 ' B' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -26.57 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -46.31 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.448 ' HB2' ' HG2' ' B' ' 606' ' ' GLN . 4.7 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.747 0.308 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 606' ' ' GLN . . . . . 0.425 ' HG2' ' HB2' ' C' ' 605' ' ' SER . 0.0 OUTLIER -68.47 -29.35 67.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.22 86.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 608' ' ' ALA . . . . . 0.424 ' HB1' HH21 ' B' ' 613' ' ' ARG . . . -65.99 -35.27 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.447 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 609' ' ' VAL . 0.4 OUTLIER -69.19 -35.65 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 -179.569 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.57 -42.18 95.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.218 0.532 . . . . 0.0 111.745 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -43.76 98.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.425 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' B' ' 613' ' ' ARG . 12.2 mt -63.89 -33.91 76.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 111.109 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.458 ' HG3' HD21 ' C' ' 612' ' ' LEU . 40.9 ttm-85 -60.47 -49.48 77.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -48.09 83.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.682 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.91 -45.81 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.56 -45.05 92.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.288 -179.736 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.446 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -64.91 -32.12 73.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.044 179.653 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.479 ' HB3' ' CD2' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.71 -47.49 80.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -64.06 -37.76 88.61 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.416 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 618' ' ' GLU . 75.7 mt -65.69 -44.05 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.615 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.9 mt -65.78 -43.69 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.201 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.5 80.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -42.34 93.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.055 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.53 -35.45 80.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -64.39 -45.86 85.84 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.21 -42.32 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.59 -38.9 89.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -41.14 65.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 10.4 mmtt -62.27 -43.02 99.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.19 85.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.044 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.729 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.5 mt-10 -65.47 -43.67 89.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.044 0.45 . . . . 0.0 111.956 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' C' ' 633' ' ' GLU . 7.1 mt -70.22 -40.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -46.09 89.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.471 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -41.15 99.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.712 HD12 HG23 ' B' ' 634' ' ' ILE . 0.8 OUTLIER -57.2 -40.73 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.633 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.4 mt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.33 -40.86 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -62.68 -47.17 84.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.021 0.439 . . . . 0.0 110.836 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.483 ' CB ' HD11 ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.77 81.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.799 179.581 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.482 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.67 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.57 95.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.24 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.503 ' HG2' ' HE ' ' B' ' 648' ' ' ARG . 1.3 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.05 -45.87 90.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.46 ' HG3' ' HD2' ' A' ' 650' ' ' ARG . 0.1 OUTLIER -65.38 -41.12 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.67 HG13 ' O ' ' A' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.105 0.479 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.492 ' HE ' ' HG2' ' C' ' 644' ' ' GLU . 3.1 tmm_? -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.099 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -50.58 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.46 ' HD2' ' HG3' ' A' ' 646' ' ' LYS . 3.4 mtp180 -62.65 -31.34 72.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.663 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' B' ' 652' ' ' GLN . 0.1 OUTLIER -62.72 -48.36 79.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.665 ' HB2' HD11 ' C' ' 651' ' ' LEU . 5.0 tt0 -60.85 -34.41 74.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mmm -68.98 -31.61 70.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 658' ' ' ILE . 57.2 tt0 -70.01 -39.78 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 651' ' ' LEU . 9.1 t -68.86 -39.11 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.75 -40.65 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 659' ' ' LYS . 5.8 tt -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.0 OUTLIER -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.85 83.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.66 88.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.35 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.434 HD13 HG13 ' C' ' 658' ' ' ILE . 1.1 tt -70.72 -18.31 62.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.62 30.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.45 ' HB2' ' HG2' ' C' ' 606' ' ' GLN . 4.7 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 606' ' ' GLN . . . . . 0.448 ' HG2' ' HB2' ' A' ' 605' ' ' SER . 0.0 OUTLIER -68.42 -29.45 68.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.32 87.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 608' ' ' ALA . . . . . 0.426 ' HB1' HH21 ' C' ' 613' ' ' ARG . . . -65.86 -35.32 80.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.491 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -35.62 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.64 -42.13 95.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.191 0.519 . . . . 0.0 111.811 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -43.73 98.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.468 HD21 ' HG3' ' C' ' 613' ' ' ARG . 12.1 mt -63.93 -33.89 76.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.085 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.458 ' HG3' HD21 ' A' ' 612' ' ' LEU . 40.9 ttm-85 -60.44 -49.53 77.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -48.1 83.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.692 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -41.85 93.62 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.92 -45.84 91.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.57 -44.93 92.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.392 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -65.02 -32.06 73.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.74 -47.45 81.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.714 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.8 OUTLIER -63.98 -37.84 88.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.841 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 618' ' ' GLU . 75.5 mt -65.66 -44.06 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.603 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.9 mt -65.79 -43.68 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.194 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.48 80.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.202 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.52 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.34 -45.89 85.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.11 -42.48 93.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.078 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.5 -38.84 88.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 10.4 mmtt -62.26 -43.0 99.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -65.72 -37.27 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.98 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.746 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.5 mt-10 -65.53 -43.71 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.083 0.468 . . . . 0.0 111.893 -179.006 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.729 HG21 ' HB3' ' A' ' 633' ' ' GLU . 7.1 mt -70.09 -40.39 78.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.114 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -46.09 89.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.465 -179.52 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -41.05 99.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.993 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.734 HD12 HG23 ' C' ' 634' ' ' ILE . 0.8 OUTLIER -57.31 -40.68 78.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.744 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.458 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.4 mt -63.11 -45.01 94.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.35 -40.82 87.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -62.75 -47.06 85.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.012 0.434 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.483 HD11 ' CB ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.75 81.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.801 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.51 98.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.5 -179.283 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.66 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.63 96.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.229 179.248 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.506 ' HG2' ' HE ' ' C' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.41 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.14 -45.78 90.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.754 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.459 ' HG3' ' HD2' ' B' ' 650' ' ' ARG . 0.1 OUTLIER -65.28 -41.21 94.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -179.708 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.079 0.466 . . . . 0.0 111.158 -179.588 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.503 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 3.1 tmm_? -64.61 -39.61 94.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.731 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.459 ' HD2' ' HG3' ' B' ' 646' ' ' LYS . 3.5 mtp180 -62.69 -31.28 72.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.639 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' C' ' 652' ' ' GLN . 0.1 OUTLIER -62.7 -48.42 79.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.65 ' HB2' HD11 ' A' ' 651' ' ' LEU . 4.9 tt0 -60.67 -34.53 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.229 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.8 mmm -69.06 -31.48 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.348 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.406 ' O ' HG22 ' B' ' 658' ' ' ILE . 57.2 tt0 -70.04 -39.78 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.469 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 651' ' ' LEU . 9.2 t -68.87 -39.11 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 111.153 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.74 -40.68 92.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -47.54 79.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.764 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' C' ' 659' ' ' LYS . 5.8 tt -66.77 -31.6 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.623 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.0 OUTLIER -64.6 -41.3 96.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.89 83.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.62 88.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 658' ' ' ILE . 1.1 tt -70.8 -18.2 62.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.607 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -19.63 30.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.425 ' HB2' ' HG2' ' A' ' 606' ' ' GLN . 4.7 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 606' ' ' GLN . . . . . 0.45 ' HG2' ' HB2' ' B' ' 605' ' ' SER . 0.0 OUTLIER -68.51 -29.32 67.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.89 -37.21 86.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 608' ' ' ALA . . . . . 0.415 ' HB1' HH21 ' A' ' 613' ' ' ARG . . . -65.95 -35.29 80.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.439 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.411 HG23 ' H ' ' C' ' 609' ' ' VAL . 0.4 OUTLIER -69.23 -35.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.546 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.68 -42.1 95.59 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 111.739 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.503 179.382 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 613' ' ' ARG . 12.2 mt -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.099 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.468 ' HG3' HD21 ' B' ' 612' ' ' LEU . 40.9 ttm-85 -60.52 -49.53 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.005 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -48.11 83.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.648 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.8 93.51 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.185 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.98 -45.83 91.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.5 -45.01 92.64 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.321 -179.761 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -64.97 -32.13 73.71 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.76 -47.49 80.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.756 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.695 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -63.96 -37.75 88.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.811 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -36.91 85.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.454 HG13 ' O ' ' C' ' 618' ' ' GLU . 75.6 mt -65.72 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.9 mt -65.85 -43.63 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.19 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.42 -46.41 80.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.273 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 19.9 mtt -64.54 -35.54 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.27 -45.88 86.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.24 -42.35 93.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.024 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.53 -38.87 88.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -41.25 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 10.4 mmtt -62.16 -43.05 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.993 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.5 mt-10 -65.46 -43.76 89.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.892 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.746 HG21 ' HB3' ' B' ' 633' ' ' GLU . 7.1 mt -70.14 -40.33 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.128 179.249 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -46.1 89.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.456 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -41.06 99.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.957 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.707 HD12 HG23 ' A' ' 634' ' ' ILE . 0.8 OUTLIER -57.27 -40.73 78.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.452 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.4 mt -63.04 -45.09 93.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.28 -40.91 87.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.66 -47.06 85.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.027 0.441 . . . . 0.0 110.96 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.08 -35.72 81.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.792 179.517 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -41.56 98.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.49 -179.344 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.67 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 mm-40 -64.51 -40.6 95.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.492 ' HG2' ' HE ' ' A' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.4 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.08 -45.86 90.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.445 ' HG3' ' HD2' ' C' ' 650' ' ' ARG . 0.1 OUTLIER -65.31 -41.17 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -179.68 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.67 HG13 ' O ' ' C' ' 643' ' ' GLU . 17.7 mt -65.1 -42.06 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.988 0.423 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.506 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 3.1 tmm_? -64.55 -39.73 94.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -50.64 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.445 ' HD2' ' HG3' ' C' ' 646' ' ' LYS . 3.4 mtp180 -62.73 -31.26 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.684 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 652' ' ' GLN . 0.1 OUTLIER -62.68 -48.38 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.795 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' B' ' 651' ' ' LEU . 4.9 tt0 -60.87 -34.39 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mmm -69.02 -31.64 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 111.336 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.411 ' O ' HG22 ' C' ' 658' ' ' ILE . 57.2 tt0 -69.92 -39.86 75.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 651' ' ' LEU . 9.1 t -68.77 -39.12 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.499 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.8 -40.6 92.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 179.535 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 659' ' ' LYS . 5.8 tt -66.69 -31.56 54.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.67 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.0 OUTLIER -64.63 -41.36 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -47.89 83.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.59 88.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.344 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.669 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.1 tt -70.76 -18.25 62.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.63 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.57 -34.78 40.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.669 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 609' ' ' VAL . 5.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.4 -44.59 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.48 94.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 608' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -58.5 -35.98 73.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.437 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.938 HG11 ' HB1' ' C' ' 608' ' ' ALA . 61.7 t -63.63 -39.41 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.53 76.01 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.213 0.53 . . . . 0.0 111.81 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 614' ' ' THR . 35.8 mt-10 -58.72 -39.69 81.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.417 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.89 74.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.815 0.341 . . . . 0.0 111.23 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.497 ' HG2' HD21 ' C' ' 612' ' ' LEU . 9.4 mmt180 -62.88 -47.14 84.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.042 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 611' ' ' GLU . 0.0 OUTLIER -68.14 -30.07 69.11 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.635 179.892 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.19 -46.83 69.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.175 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 619' ' ' LEU . 16.5 m -67.64 -41.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.31 -51.67 68.83 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.15 72.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 622' ' ' ILE . 8.8 mt -60.42 -38.8 85.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 623' ' ' ILE . 1.6 ttm105 -64.19 -34.61 78.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -31.74 65.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 619' ' ' LEU . 21.1 mt -64.24 -45.74 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.54 -179.578 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.5 mt -66.44 -38.48 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.208 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.28 -48.23 68.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.245 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p -61.87 -42.9 99.62 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.522 ' HB3' ' HG3' ' B' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.15 77.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.544 ' HZ1' ' HB3' ' C' ' 629' ' ' GLN . 0.2 OUTLIER -70.89 -37.09 72.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.876 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.45 -35.43 80.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.539 ' HB3' ' HZ1' ' B' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.71 69.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.458 HE21 ' HG2' ' B' ' 627' ' ' LYS . 1.5 tp-100 -61.03 -46.4 90.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.08 84.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.027 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.87 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.056 0.455 . . . . 0.0 111.887 -179.081 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.579 HG23 HD12 ' C' ' 637' ' ' LEU . 52.4 mt -58.31 -46.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.072 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -43.0 76.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.446 -179.482 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.58 -39.88 92.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.606 HD23 HD12 ' B' ' 641' ' ' LEU . 0.3 OUTLIER -63.2 -34.8 78.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.49 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 0.7 OUTLIER -71.2 -31.13 67.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.763 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.405 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 6.1 tt0 -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.819 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.588 HD12 HD23 ' C' ' 637' ' ' LEU . 0.5 OUTLIER -61.81 -44.58 96.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.705 179.608 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.72 -42.48 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.518 ' O ' HG13 ' A' ' 647' ' ' ILE . 85.3 mt-10 -61.18 -46.58 89.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.646 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 27.0 tt0 -66.25 -33.04 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.643 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 13.5 mmtt -64.02 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -62.93 -48.39 79.11 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -179.654 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 644' ' ' GLU . 2.1 mt -62.3 -38.76 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.115 0.483 . . . . 0.0 111.179 -179.595 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.52 HH11 ' HG3' ' C' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.35 96.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.066 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.746 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.2 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 655' ' ' VAL . 12.8 tp -63.3 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.788 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -44.46 96.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.17 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -39.29 90.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.312 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 658' ' ' ILE . 6.0 tt0 -64.03 -40.43 96.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.483 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 651' ' ' LEU . 73.8 t -64.39 -46.77 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 111.141 -179.495 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -56.19 -39.77 72.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.84 98.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 654' ' ' GLU . 8.5 mt -65.78 -45.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.697 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 663' ' ' GLN . 4.8 tttt -62.06 -44.55 96.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.98 -40.54 96.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.94 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.357 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.826 ' HG ' HD11 ' B' ' 662' ' ' LEU . 1.1 mt -76.71 -31.18 57.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 663' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 7.2 mm100 -86.04 -28.64 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.906 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.688 ' O ' HG23 ' B' ' 609' ' ' VAL . 5.8 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -60.44 -44.52 95.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.47 94.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 608' ' ' ALA . . . . . 0.939 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -58.5 -36.03 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' A' ' 608' ' ' ALA . 61.8 t -63.57 -39.36 85.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.679 -179.544 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.65 75.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 111.764 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.525 ' O ' HG23 ' B' ' 614' ' ' THR . 35.8 mt-10 -58.54 -39.73 81.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.5 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.594 ' HB3' ' HG ' ' A' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.95 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.49 ' HG2' HD21 ' A' ' 612' ' ' LEU . 9.4 mmt180 -62.92 -47.01 85.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.047 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 614' ' ' THR . . . . . 0.525 HG23 ' O ' ' B' ' 611' ' ' GLU . 0.0 OUTLIER -68.2 -30.15 69.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.545 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.14 -46.82 69.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.001 0.429 . . . . 0.0 111.188 -179.451 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.574 ' HA ' HD12 ' B' ' 619' ' ' LEU . 16.4 m -67.63 -41.31 85.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.22 -51.76 68.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.6 -31.12 72.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.683 ' HA ' HD12 ' B' ' 622' ' ' ILE . 8.8 mt -60.45 -38.74 85.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.475 ' HA ' HD12 ' B' ' 623' ' ' ILE . 1.6 ttm105 -64.26 -34.53 78.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -31.7 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' B' ' 619' ' ' LEU . 21.0 mt -64.24 -45.66 95.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.5 mt -66.54 -38.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -48.24 68.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.8 -42.92 99.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.51 ' HB3' ' HG3' ' C' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.16 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.539 ' HZ1' ' HB3' ' A' ' 629' ' ' GLN . 0.2 OUTLIER -70.93 -37.11 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.46 -35.4 80.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.517 ' HB3' ' HZ1' ' C' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.74 68.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.46 HE21 ' HG2' ' C' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.47 90.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.05 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.51 90.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.94 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.8 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 111.846 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.591 HG23 HD12 ' A' ' 637' ' ' LEU . 52.5 mt -58.29 -47.04 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.128 179.246 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -43.02 76.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.428 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.91 92.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.591 HD12 HG23 ' C' ' 634' ' ' ILE . 0.3 OUTLIER -63.11 -34.88 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.612 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.487 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 0.7 OUTLIER -71.21 -31.12 67.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.712 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.409 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 6.1 tt0 -62.15 -41.79 98.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 637' ' ' LEU . 0.5 OUTLIER -61.71 -44.59 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.784 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.71 -42.53 97.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.487 -179.388 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.518 ' O ' HG13 ' B' ' 647' ' ' ILE . 85.3 mt-10 -61.27 -46.48 90.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.249 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.65 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 27.0 tt0 -66.3 -32.96 74.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.922 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.646 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 13.6 mmtt -64.06 -45.12 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -63.04 -48.25 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 644' ' ' GLU . 2.1 mt -62.3 -38.79 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 111.177 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.512 HH11 ' HG3' ' A' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.34 96.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.017 -179.778 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.04 -39.21 93.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -41.18 91.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.652 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.56 ' O ' HG23 ' B' ' 655' ' ' VAL . 12.7 tp -63.29 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.42 96.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.145 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -39.26 89.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.241 -179.653 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.628 ' O ' HG13 ' B' ' 658' ' ' ILE . 6.0 tt0 -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 651' ' ' LEU . 73.8 t -64.33 -46.67 92.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 111.196 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -56.34 -39.84 73.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.23 -43.83 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 654' ' ' GLU . 8.6 mt -65.88 -45.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.614 -179.604 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' B' ' 663' ' ' GLN . 4.8 tttt -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.85 -40.63 97.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.77 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.377 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.826 HD11 ' HG ' ' A' ' 662' ' ' LEU . 1.1 mt -76.78 -31.11 56.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 663' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 659' ' ' LYS . 7.2 mm100 -86.09 -28.64 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.925 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.685 ' O ' HG23 ' C' ' 609' ' ' VAL . 5.8 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.736 0.303 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.34 -44.56 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.5 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 608' ' ' ALA . . . . . 0.938 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -58.48 -36.0 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.458 -179.743 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.939 HG11 ' HB1' ' B' ' 608' ' ' ALA . 61.5 t -63.64 -39.36 85.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.636 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.33 -46.52 76.35 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.768 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.52 ' O ' HG23 ' C' ' 614' ' ' THR . 35.8 mt-10 -58.6 -39.75 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.457 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.589 ' HG ' ' HB3' ' A' ' 612' ' ' LEU . 2.0 mm? -65.86 -32.87 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 -179.787 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.515 ' HG2' HD21 ' B' ' 612' ' ' LEU . 9.4 mmt180 -62.98 -47.07 84.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.995 -179.733 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 614' ' ' THR . . . . . 0.52 HG23 ' O ' ' C' ' 611' ' ' GLU . 0.0 OUTLIER -68.14 -30.1 69.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.609 179.899 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.22 -46.82 69.52 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 111.159 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' C' ' 619' ' ' LEU . 16.5 m -67.69 -41.19 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.35 -51.62 69.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.13 72.21 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.012 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' C' ' 622' ' ' ILE . 8.8 mt -60.45 -38.73 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.996 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' C' ' 623' ' ' ILE . 1.6 ttm105 -64.29 -34.5 78.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -31.72 65.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' C' ' 619' ' ' LEU . 21.2 mt -64.15 -45.8 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.623 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.4 mt -66.41 -38.39 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.226 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.35 -48.27 67.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.417 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.75 -42.95 99.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.519 ' HB3' ' HG3' ' A' ' 627' ' ' LYS . 17.5 mtt -65.33 -34.18 77.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.517 ' HZ1' ' HB3' ' B' ' 629' ' ' GLN . 0.2 OUTLIER -70.85 -37.09 73.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.44 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.544 ' HB3' ' HZ1' ' A' ' 627' ' ' LYS . 6.2 tp60 -69.28 -45.71 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.796 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.46 HE21 ' HG2' ' A' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.4 90.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.04 -39.16 84.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 632' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -59.09 -45.52 90.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.01 179.597 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.91 -42.6 99.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 111.843 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.591 HG23 HD12 ' B' ' 637' ' ' LEU . 52.5 mt -58.27 -46.95 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.153 179.205 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -43.04 76.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.4 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.9 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.588 HD23 HD12 ' A' ' 641' ' ' LEU . 0.3 OUTLIER -63.09 -34.89 78.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.506 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 0.7 OUTLIER -71.17 -31.14 67.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.72 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.23 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.2 -41.73 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.43 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.589 HD12 HD23 ' B' ' 637' ' ' LEU . 0.5 OUTLIER -61.68 -44.68 96.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.797 179.489 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.68 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.5 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.521 ' O ' HG13 ' C' ' 647' ' ' ILE . 85.3 mt-10 -61.1 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.195 179.259 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.643 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 27.1 tt0 -66.29 -33.03 74.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.65 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 13.6 mmtt -64.01 -45.12 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -62.96 -48.43 78.9 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' C' ' 644' ' ' GLU . 2.1 mt -62.22 -38.78 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.1 0.476 . . . . 0.0 111.212 -179.638 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.522 HH11 ' HG3' ' B' ' 644' ' ' GLU . 5.6 ttp-105 -64.24 -42.37 96.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.061 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.98 -39.33 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -41.11 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.646 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.575 ' O ' HG23 ' C' ' 655' ' ' VAL . 12.7 tp -63.33 -33.41 75.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -44.51 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.175 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.306 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.612 ' O ' HG13 ' C' ' 658' ' ' ILE . 6.0 tt0 -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.575 HG23 ' O ' ' C' ' 651' ' ' LEU . 74.3 t -64.26 -46.78 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -56.23 -39.8 73.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.612 HG13 ' O ' ' C' ' 654' ' ' GLU . 8.6 mt -65.87 -45.87 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.664 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' C' ' 663' ' ' GLN . 4.8 tttt -62.15 -44.51 96.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -63.93 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.87 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.368 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 662' ' ' LEU . 1.1 mt -76.73 -31.25 57.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.48 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 663' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' C' ' 659' ' ' LYS . 7.3 mm100 -85.96 -28.69 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t -70.39 -49.57 47.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.011 -179.987 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.622 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.0 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.725 0.298 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 606' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 1.4 tt0 -70.79 -38.15 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.74 -34.53 78.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.25 -49.15 46.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.435 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 605' ' ' SER . 25.9 t -63.67 -48.17 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.612 -179.518 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 0.1 OUTLIER -53.21 -53.6 48.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 111.7 179.636 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.409 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 17.5 mt-10 -66.04 -25.89 67.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.452 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.1 OUTLIER -66.57 -50.34 63.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.767 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -65.26 -40.72 94.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.002 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 32.2 p -63.56 -27.75 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.662 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.795 ' HB3' HG11 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -70.88 -51.14 28.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 -179.482 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.806 HG11 ' HB3' ' C' ' 615' ' ' GLN . 1.9 t -63.96 -39.43 85.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -60.07 -44.98 94.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.254 -179.743 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -42.12 91.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 1.016 ' HA ' HD12 ' A' ' 622' ' ' ILE . 7.5 tp -65.28 -34.7 78.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.589 ' HD2' HD13 ' C' ' 619' ' ' LEU . 2.2 tpt180 -60.56 -45.91 92.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 4.1 m -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 1.016 HD12 ' HA ' ' A' ' 619' ' ' LEU . 5.8 mt -69.04 -34.68 65.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.589 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.741 HD11 HD11 ' C' ' 623' ' ' ILE . 1.1 mp -61.24 -45.32 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.46 -40.36 93.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.221 -179.381 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 625' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -66.27 -39.07 89.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.975 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.15 -41.6 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.606 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 7.8 ttmm -64.22 -42.52 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.02 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.93 -27.52 60.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 6.4 tt0 -67.19 -47.95 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 0.1 OUTLIER -63.65 -41.23 98.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.024 -179.786 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.604 ' O ' HG13 ' A' ' 634' ' ' ILE . 18.3 mttt -59.81 -41.92 92.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -68.01 -42.88 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 93.2 mt-10 -61.54 -48.63 80.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.86 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.0 OUTLIER -65.83 -33.97 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.079 179.253 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 638' ' ' LEU . 40.2 mttt -58.77 -48.8 80.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.472 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.49 91.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.985 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.53 -45.85 88.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 635' ' ' LYS . 2.6 mt -60.81 -45.81 92.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -35.77 78.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.2 -43.52 86.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.959 0.409 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.575 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.6 OUTLIER -65.87 -36.0 82.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.819 179.582 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -44.94 83.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -39.99 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 179.231 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -35.46 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.32 -36.81 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.69 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.19 -37.76 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.159 -179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -65.14 -43.76 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.022 -179.773 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 649' ' ' LEU . . . . . 0.543 ' O ' ' HG2' ' A' ' 653' ' ' MET . 2.9 mt -58.86 -41.36 86.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.829 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -39.45 93.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.694 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.706 HD22 ' HG2' ' B' ' 652' ' ' GLN . 45.5 tp -67.09 -39.14 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.759 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.705 ' HG2' HD22 ' C' ' 651' ' ' LEU . 0.0 OUTLIER -57.54 -43.48 84.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.171 -179.881 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 653' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 649' ' ' LEU . 18.9 mmt -66.56 -41.21 88.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.314 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.666 ' O ' HG13 ' A' ' 658' ' ' ILE . 34.7 tt0 -61.34 -40.77 95.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.503 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.9 t -65.32 -42.02 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.64 94.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.51 98.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.754 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.666 HG13 ' O ' ' A' ' 654' ' ' GLU . 10.3 mt -71.42 -35.35 56.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.643 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -50.15 68.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -69.01 -32.9 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.62 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.322 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.417 HD12 HD12 ' B' ' 662' ' ' LEU . 1.3 tt -63.62 -33.44 75.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.558 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.3 -29.18 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.956 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.628 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.0 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.787 0.327 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 1.4 tt0 -70.73 -38.25 73.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.2 -49.26 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.439 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 605' ' ' SER . 25.8 t -63.59 -48.22 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 0.1 OUTLIER -53.12 -53.61 47.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.158 0.504 . . . . 0.0 111.781 179.616 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.414 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 17.5 mt-10 -66.08 -25.89 67.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.43 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 612' ' ' LEU . 0.1 OUTLIER -66.56 -50.37 63.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.132 -179.775 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -65.31 -40.61 94.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 614' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 32.1 p -63.61 -27.76 69.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.663 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.796 ' HB3' HG11 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -70.91 -51.11 28.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 111.098 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.795 HG11 ' HB3' ' A' ' 615' ' ' GLN . 1.9 t -63.93 -39.51 85.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -44.97 94.32 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.327 -179.702 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -42.15 91.4 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.942 ' HA ' HD12 ' B' ' 622' ' ' ILE . 7.5 tp -65.31 -34.66 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.01 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.576 ' HD2' HD13 ' A' ' 619' ' ' LEU . 2.2 tpt180 -60.58 -45.88 92.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.1 m -60.02 -36.57 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.512 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.942 HD12 ' HA ' ' B' ' 619' ' ' LEU . 5.7 mt -69.04 -34.74 65.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.587 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 623' ' ' ILE . 1.1 mp -61.24 -45.31 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.48 -40.28 92.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.222 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 625' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.013 179.782 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 7.4 ttm -68.25 -41.6 80.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 7.8 ttmm -64.18 -42.51 96.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.85 -27.59 60.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 6.4 tt0 -67.17 -48.01 69.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 0.1 OUTLIER -63.58 -41.25 98.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.752 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.607 ' O ' HG13 ' B' ' 634' ' ' ILE . 18.3 mttt -59.85 -41.93 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -67.96 -43.01 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.956 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 93.2 mt-10 -61.45 -48.66 80.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 111.872 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.0 OUTLIER -65.79 -33.94 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' B' ' 638' ' ' LEU . 39.9 mttt -58.95 -48.74 80.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.449 -179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -38.62 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.52 -45.86 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 635' ' ' LYS . 2.6 mt -60.84 -45.82 92.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.17 -43.52 86.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.79 -36.11 82.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.791 179.563 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -45.01 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.529 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -40.04 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.227 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -35.63 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.26 -36.8 85.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.727 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -55.72 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 -179.619 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.24 -37.68 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.197 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.614 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -65.13 -43.77 90.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.055 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 649' ' ' LEU . . . . . 0.538 ' O ' ' HG2' ' B' ' 653' ' ' MET . 2.9 mt -58.89 -41.27 86.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.4 93.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 655' ' ' VAL . 45.5 tp -67.05 -39.2 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.706 ' HG2' HD22 ' A' ' 651' ' ' LEU . 0.0 OUTLIER -57.51 -43.46 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.152 -179.831 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 653' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' B' ' 649' ' ' LEU . 18.9 mmt -66.6 -41.2 88.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.323 -179.716 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.666 ' O ' HG13 ' B' ' 658' ' ' ILE . 34.7 tt0 -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.536 179.573 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 651' ' ' LEU . 43.0 t -65.35 -42.0 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.69 94.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.824 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -42.46 98.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.666 HG13 ' O ' ' B' ' 654' ' ' GLU . 10.3 mt -71.37 -35.39 57.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.623 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -50.17 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.02 -32.85 72.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.966 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.59 81.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.317 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.417 HD12 HD12 ' A' ' 662' ' ' LEU . 1.3 tt -63.69 -33.36 75.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.41 -29.07 34.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.636 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.739 0.304 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 606' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 1.4 tt0 -70.67 -38.32 73.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.56 78.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.15 46.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.489 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.636 HG23 ' O ' ' C' ' 605' ' ' SER . 25.7 t -63.63 -48.23 87.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 -179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 610' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 0.1 OUTLIER -53.1 -53.61 47.88 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 111.803 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 17.4 mt-10 -66.12 -25.88 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.388 179.441 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -66.53 -50.45 63.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 -179.817 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -65.25 -40.62 94.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 614' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 32.0 p -63.67 -27.67 69.38 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.664 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.806 ' HB3' HG11 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -70.95 -51.12 27.7 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 111.166 -179.523 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' B' ' 615' ' ' GLN . 1.9 t -63.92 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -45.0 94.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.327 -179.729 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -42.19 91.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.974 ' HA ' HD12 ' C' ' 622' ' ' ILE . 7.4 tp -65.34 -34.6 78.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' B' ' 619' ' ' LEU . 2.2 tpt180 -60.59 -45.92 92.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 4.1 m -60.01 -36.61 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.531 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.974 HD12 ' HA ' ' C' ' 619' ' ' LEU . 5.7 mt -69.03 -34.69 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.63 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.741 HD11 HD11 ' A' ' 623' ' ' ILE . 1.1 mp -61.18 -45.29 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.282 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.49 -40.32 92.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 625' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -66.29 -39.06 89.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.034 179.814 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.23 -41.51 81.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.983 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 7.9 ttmm -64.33 -42.49 96.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.83 -27.57 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 6.5 tt0 -67.28 -47.92 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 0.1 OUTLIER -63.67 -41.18 98.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.002 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.609 ' O ' HG13 ' C' ' 634' ' ' ILE . 18.3 mttt -59.83 -41.93 92.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -68.02 -42.93 79.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.945 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 93.2 mt-10 -61.46 -48.68 80.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.609 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.0 OUTLIER -65.81 -33.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.055 179.28 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' C' ' 638' ' ' LEU . 40.1 mttt -58.83 -48.8 80.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.448 -179.514 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -38.64 91.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.56 -45.85 88.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' C' ' 635' ' ' LYS . 2.6 mt -60.79 -45.79 93.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -35.75 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.76 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.29 -43.42 86.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.758 179.571 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -45.04 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -40.01 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.232 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -35.57 81.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.29 -36.83 85.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.72 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.22 -37.71 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.037 0.446 . . . . 0.0 111.202 -179.65 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.638 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -65.12 -43.76 90.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.021 -179.826 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 649' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' C' ' 653' ' ' MET . 2.9 mt -58.9 -41.29 86.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.42 93.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.705 HD22 ' HG2' ' A' ' 652' ' ' GLN . 45.6 tp -67.03 -39.2 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.745 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.688 ' HG2' HD22 ' B' ' 651' ' ' LEU . 0.0 OUTLIER -57.61 -43.37 84.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.152 -179.774 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 653' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' C' ' 649' ' ' LEU . 19.0 mmt -66.64 -41.19 88.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.668 ' O ' HG13 ' C' ' 658' ' ' ILE . 34.8 tt0 -61.3 -40.83 95.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.548 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.68 HG23 ' O ' ' C' ' 651' ' ' LEU . 43.1 t -65.34 -41.96 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -39.66 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -42.47 98.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.735 179.595 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.668 HG13 ' O ' ' C' ' 654' ' ' GLU . 10.3 mt -71.39 -35.27 56.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.721 -179.703 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -50.16 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 660' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' C' ' 660' ' ' LYS . 18.6 mtmt -69.02 -32.87 72.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.51 -40.53 80.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.581 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.3 tt -63.75 -33.37 75.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.33 -29.17 34.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p -77.3 -17.75 58.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.708 0.29 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.37 84.6 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.23 77.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.53 83.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.471 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.52 -29.83 46.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.07 -41.04 82.53 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.17 0.509 . . . . 0.0 111.74 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.91 99.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.481 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.858 HD21 ' HA ' ' B' ' 613' ' ' ARG . 10.0 mt -66.03 -38.53 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.078 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.856 ' HA ' HD21 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -56.08 -47.01 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.003 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.22 -41.51 98.46 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.409 ' HG3' ' NH1' ' B' ' 620' ' ' ARG . 31.6 tt0 -69.64 -36.01 75.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.937 0.399 . . . . 0.0 111.15 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.825 HG21 HD22 ' C' ' 612' ' ' LEU . 67.5 t -66.39 -46.44 86.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.05 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.347 -179.752 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -35.82 81.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.621 HD23 HD11 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.88 93.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.782 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.615 ' HB2' HD11 ' C' ' 619' ' ' LEU . 11.9 ttm180 -65.79 -36.25 83.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.31 -30.25 70.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.49 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 626' ' ' MET . 6.0 mt -69.85 -44.29 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.068 0.461 . . . . 0.0 111.626 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.699 HD13 HG12 ' C' ' 623' ' ' ILE . 3.8 mt -63.74 -35.57 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.243 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -42.83 78.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 -179.385 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.6 -40.63 76.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.983 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.482 ' SD ' HG22 ' B' ' 623' ' ' ILE . 9.5 mtt -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.434 ' HD3' ' HE2' ' A' ' 631' ' ' LYS . 0.9 OUTLIER -61.64 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -39.04 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.008 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.65 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -66.33 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.018 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.434 ' HE2' ' HD3' ' A' ' 627' ' ' LYS . 8.6 mmtt -66.37 -46.03 78.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -37.76 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.011 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.485 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.6 mm-40 -64.98 -46.98 79.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.998 0.428 . . . . 0.0 111.848 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' C' ' 633' ' ' GLU . 1.7 mt -63.07 -37.98 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.072 179.234 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.6 OUTLIER -63.99 -41.87 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.477 -179.551 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -35.17 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.947 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' B' ' 638' ' ' LEU . 4.6 mt -65.69 -44.67 85.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 635' ' ' LYS . 4.0 mt -61.72 -39.16 90.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -39.87 90.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.77 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.585 ' OE1' HD13 ' B' ' 641' ' ' LEU . 36.1 tt0 -67.94 -39.62 83.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.46 -40.67 96.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.759 179.58 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.05 -32.44 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.501 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -64.62 -47.63 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.231 179.231 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.449 ' HG3' ' HE ' ' B' ' 648' ' ' ARG . 65.2 tt0 -65.52 -34.74 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.95 -40.16 88.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -40.27 89.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 643' ' ' GLU . 3.8 mt -70.63 -38.35 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.01 0.434 . . . . 0.0 111.202 -179.696 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 1.0 OUTLIER -68.12 -40.78 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.991 -179.832 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -43.81 91.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -67.08 -34.27 77.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.618 ' HG ' ' HG3' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -60.34 -46.94 88.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.3 tt0 -59.21 -40.42 85.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.198 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.53 -31.13 71.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 111.344 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 658' ' ' ILE . 22.6 tt0 -67.88 -48.7 65.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.539 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 651' ' ' LEU . 2.9 t -63.11 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -66.17 -39.16 89.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.96 55.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 654' ' ' GLU . 2.2 tt -64.2 -28.31 44.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.671 -179.658 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -70.7 -44.45 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.041 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.56 80.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.28 59.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.4 HD22 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.93 -31.18 71.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.504 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -28.53 44.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 179.974 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -37.3 84.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.18 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.398 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.51 -29.87 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.06 -40.96 82.68 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.206 0.527 . . . . 0.0 111.836 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.89 99.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.447 179.4 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.855 HD21 ' HA ' ' C' ' 613' ' ' ARG . 10.0 mt -65.92 -38.56 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.858 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.1 OUTLIER -56.12 -46.95 78.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.748 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.604 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.405 ' HG3' ' NH1' ' C' ' 620' ' ' ARG . 31.6 tt0 -69.63 -36.12 75.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 111.086 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 612' ' ' LEU . 68.6 t -66.31 -46.48 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.0 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.362 -179.768 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -35.77 81.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.629 HD23 HD11 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.89 93.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 -179.805 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.618 ' HB2' HD11 ' A' ' 619' ' ' LEU . 11.9 ttm180 -65.84 -36.21 82.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.35 -30.3 70.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.62 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' B' ' 626' ' ' MET . 6.1 mt -69.83 -44.3 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.635 -179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.681 HG12 HD13 ' C' ' 623' ' ' ILE . 3.9 mt -63.75 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.85 79.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.52 -40.68 76.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.03 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.484 ' SD ' HG22 ' C' ' 623' ' ' ILE . 9.5 mtt -62.97 -40.04 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.419 ' HD3' ' HE2' ' B' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.75 98.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.044 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.86 -39.05 90.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.075 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.68 79.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.478 ' O ' HD12 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -66.38 -32.13 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.717 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.419 ' HE2' ' HD3' ' B' ' 627' ' ' LYS . 8.5 mmtt -66.48 -46.0 77.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -37.84 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.032 179.649 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.503 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.6 mm-40 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.063 0.459 . . . . 0.0 111.885 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' A' ' 633' ' ' GLU . 1.7 mt -63.1 -37.98 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.03 179.281 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.6 OUTLIER -64.0 -41.85 97.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.462 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -35.14 80.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' C' ' 638' ' ' LEU . 4.6 mt -65.73 -44.66 85.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' B' ' 635' ' ' LYS . 4.1 mt -61.68 -39.31 90.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.082 -179.722 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -39.94 90.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.591 ' OE1' HD13 ' C' ' 641' ' ' LEU . 36.0 tt0 -67.91 -39.66 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.8 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.38 -40.76 96.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.778 179.524 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.94 -32.54 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.524 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.462 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.1 OUTLIER -64.56 -47.68 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.252 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.437 ' HG3' ' HE ' ' C' ' 648' ' ' ARG . 65.2 tt0 -65.48 -34.89 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.81 -40.16 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.4 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 643' ' ' GLU . 3.8 mt -70.56 -38.42 73.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 111.232 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.521 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.74 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.038 -179.82 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -43.92 91.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.764 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.89 -34.38 77.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.688 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.624 ' HG ' ' HG3' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.01 87.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.708 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.618 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 2.3 tt0 -59.1 -40.45 85.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.199 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.7 -30.93 71.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.338 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.564 ' O ' HG22 ' B' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.69 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 651' ' ' LEU . 2.8 t -63.08 -35.56 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 0.0 111.171 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -66.22 -39.06 89.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -52.99 55.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.746 179.547 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.564 HG22 ' O ' ' B' ' 654' ' ' GLU . 2.2 tt -64.16 -28.32 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.694 -179.735 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -70.64 -44.44 67.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.026 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -35.56 80.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.7 -37.28 59.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.306 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -66.1 -31.09 71.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 179.62 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -28.51 44.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.997 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.34 84.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.09 77.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.58 83.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.449 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.57 -29.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.517 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.1 -40.99 82.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 111.717 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.413 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 613' ' ' ARG . 10.0 mt -65.93 -38.54 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.855 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.1 OUTLIER -56.15 -46.89 79.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.019 -179.742 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.3 -41.47 98.53 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.624 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.414 ' HG3' ' NH1' ' A' ' 620' ' ' ARG . 31.5 tt0 -69.67 -36.04 75.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.115 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.816 HG21 HD22 ' B' ' 612' ' ' LEU . 68.5 t -66.31 -46.45 87.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.255 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -63.35 -45.23 92.17 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.334 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.66 -43.93 93.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 -179.878 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' B' ' 619' ' ' LEU . 11.9 ttm180 -65.86 -36.25 82.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.36 -30.22 69.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.617 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' C' ' 626' ' ' MET . 6.0 mt -69.88 -44.25 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.662 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 623' ' ' ILE . 3.9 mt -63.74 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.245 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -42.85 79.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.49 -40.72 76.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.003 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.477 ' SD ' HG22 ' A' ' 623' ' ' ILE . 9.5 mtt -62.94 -40.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.424 ' HD3' ' HE2' ' C' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.7 98.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -39.02 90.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -63.92 -47.68 79.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.482 ' O ' HD12 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -66.35 -32.15 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.424 ' HE2' ' HD3' ' C' ' 627' ' ' LYS . 8.6 mmtt -66.46 -46.0 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.86 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.956 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.6 mm-40 -64.92 -47.03 79.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.083 0.468 . . . . 0.0 111.907 -178.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.503 HG21 ' HB3' ' B' ' 633' ' ' GLU . 1.7 mt -62.97 -38.0 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.106 179.193 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.557 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.6 OUTLIER -64.04 -41.84 97.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.43 -179.528 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -35.22 80.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 638' ' ' LEU . 4.7 mt -65.65 -44.75 85.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.789 179.643 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' C' ' 635' ' ' LYS . 4.0 mt -61.59 -39.3 90.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.95 91.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.592 ' OE1' HD13 ' A' ' 641' ' ' LEU . 36.1 tt0 -67.95 -39.63 83.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.804 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.4 -40.68 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 179.491 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.481 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.455 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.1 OUTLIER -64.61 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.205 179.276 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.441 ' HG3' ' HE ' ' A' ' 648' ' ' ARG . 65.2 tt0 -65.39 -34.95 79.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.74 -40.26 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.33 89.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.455 HG13 ' O ' ' C' ' 643' ' ' GLU . 3.8 mt -70.63 -38.38 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.072 0.463 . . . . 0.0 111.21 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.521 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.78 82.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.84 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -43.9 91.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.94 -34.28 77.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.627 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.04 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.624 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 2.3 tt0 -59.16 -40.42 85.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.19 -179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.62 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 111.343 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.557 ' O ' HG22 ' C' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.7 65.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.522 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.516 HG23 ' O ' ' C' ' 651' ' ' LEU . 2.9 t -63.08 -35.58 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -66.14 -39.1 89.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.98 55.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.497 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 654' ' ' GLU . 2.2 tt -64.18 -28.33 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.674 -179.713 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.483 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -70.66 -44.42 67.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.0 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -35.57 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.65 -37.23 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.384 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -31.18 71.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.521 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -28.5 44.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m -70.46 -39.2 74.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.018 -179.949 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 609' ' ' VAL . 11.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.757 0.313 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -68.8 -38.87 80.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.794 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.437 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 605' ' ' SER . 3.5 t -66.34 -38.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 -179.536 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.5 -48.26 82.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.768 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.416 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 51.4 mt-10 -70.61 -28.31 64.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.455 179.357 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -64.88 -49.89 68.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.793 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.568 ' HE ' HD22 ' C' ' 612' ' ' LEU . 7.7 tpp85 -64.51 -37.87 89.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 21.5 p -71.56 -27.6 63.27 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.683 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -48.86 31.9 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 111.138 -179.457 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 612' ' ' LEU . 1.4 t -68.69 -36.7 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.481 HH22 ' HG2' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -63.61 -49.55 72.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.29 -179.709 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -43.76 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.968 179.705 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.807 HD21 HD13 ' B' ' 623' ' ' ILE . 19.6 tp -65.88 -36.78 84.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.481 ' HG2' HH22 ' A' ' 617' ' ' ARG . 0.0 OUTLIER -56.47 -42.62 78.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -38.15 90.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.559 179.526 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 619' ' ' LEU . 24.7 mt -66.25 -36.71 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.591 -179.641 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.807 HD13 HD21 ' C' ' 619' ' ' LEU . 0.9 OUTLIER -62.76 -42.59 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -47.66 73.14 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.387 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.06 -40.29 97.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 5.7 ttm -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 15.0 ttmm -62.16 -49.13 77.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.084 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -29.2 68.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.008 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.4 OUTLIER -64.26 -48.91 73.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 4.8 pt20 -66.56 -31.96 73.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' A' ' 634' ' ' ILE . 24.6 mttm -67.42 -41.39 84.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.48 -42.22 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.936 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' B' ' 634' ' ' ILE . 80.0 mt-10 -60.93 -44.9 96.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.883 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.5 pp -67.95 -33.86 63.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.073 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.75 -43.37 84.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.398 -179.49 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -44.83 76.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.88 -42.15 84.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -42.32 98.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -34.52 76.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' B' ' 641' ' ' LEU . 2.2 mt-10 -72.19 -36.5 69.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.6 OUTLIER -71.2 -38.7 72.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.757 179.579 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HD3' ' A' ' 646' ' ' LYS . 15.6 m-20 -63.57 -47.14 82.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.286 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.401 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -64.46 -36.52 84.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.46 -33.39 62.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 646' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 650' ' ' ARG . 0.3 OUTLIER -63.34 -45.69 90.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -179.664 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 2.0 tt -72.94 -38.52 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 648' ' ' ARG . 1.6 tmm_? -62.59 -42.19 99.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.059 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.789 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 646' ' ' LYS . 1.8 mmp_? -60.45 -37.77 82.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.701 HD22 ' HG2' ' B' ' 652' ' ' GLN . 22.6 tp -66.63 -39.4 88.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.687 ' HG2' HD22 ' C' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.84 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.127 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -44.4 89.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.323 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.95 -44.68 91.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.551 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.626 HG21 HD11 ' C' ' 651' ' ' LEU . 17.8 t -60.93 -40.72 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -34.37 77.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -44.39 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.798 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.512 HG21 HG22 ' B' ' 658' ' ' ILE . 6.6 mt -65.81 -38.06 81.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.742 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.24 83.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -34.55 76.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' B' ' 662' ' ' LEU . . . -70.15 -36.24 74.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' C' ' 661' ' ' ALA . 0.6 OUTLIER -74.0 -31.09 62.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.531 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.65 -37.79 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.994 -180.0 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.587 ' O ' HG23 ' B' ' 609' ' ' VAL . 11.5 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.87 -38.77 79.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.78 88.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.94 75.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.434 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 605' ' ' SER . 3.5 t -66.42 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.594 -179.553 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.3 -48.44 81.6 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.193 0.52 . . . . 0.0 111.791 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.41 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 51.4 mt-10 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.436 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -64.85 -49.94 68.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.081 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.568 ' HE ' HD22 ' A' ' 612' ' ' LEU . 7.7 tpp85 -64.49 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.072 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 614' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 21.5 p -71.58 -27.62 63.26 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.642 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -48.83 32.12 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.014 0.435 . . . . 0.0 111.157 -179.4 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 612' ' ' LEU . 1.4 t -68.66 -36.79 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.48 HH22 ' HG2' ' B' ' 620' ' ' ARG . 0.0 OUTLIER -63.49 -49.62 72.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.38 -43.76 88.63 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.998 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.798 HD21 HD13 ' C' ' 623' ' ' ILE . 19.6 tp -65.8 -36.74 84.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.48 ' HG2' HH22 ' B' ' 617' ' ' ARG . 0.0 OUTLIER -56.49 -42.71 78.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -38.16 90.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.652 179.556 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 619' ' ' LEU . 25.2 mt -66.27 -36.65 77.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.807 HD13 HD21 ' A' ' 619' ' ' LEU . 0.9 OUTLIER -62.76 -42.6 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -47.61 73.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.398 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -40.27 97.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.461 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 5.7 ttm -67.91 -40.89 83.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 15.0 ttmm -62.04 -49.27 76.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -29.07 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.4 OUTLIER -64.33 -48.89 73.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.788 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 4.8 pt20 -66.49 -32.0 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' B' ' 634' ' ' ILE . 24.6 mttm -67.48 -41.29 84.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.5 -42.26 65.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.941 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.487 ' HB3' HG21 ' C' ' 634' ' ' ILE . 80.1 mt-10 -60.85 -44.9 96.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 111.882 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.5 pp -68.01 -33.85 63.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.072 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.8 -43.32 84.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.93 76.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.9 -42.17 84.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.736 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -42.3 98.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.991 0.425 . . . . 0.0 111.221 -179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -34.53 76.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' C' ' 641' ' ' LEU . 2.2 mt-10 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.013 0.435 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.6 OUTLIER -71.21 -38.72 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.78 179.554 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 642' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' B' ' 646' ' ' LYS . 15.6 m-20 -63.51 -47.17 82.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.471 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.23 77.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.213 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -36.51 84.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.44 -33.38 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 646' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 650' ' ' ARG . 0.3 OUTLIER -63.39 -45.64 90.1 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 -179.637 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.98 -38.49 56.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 111.174 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.401 HH21 ' HG2' ' A' ' 644' ' ' GLU . 1.6 tmm_? -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.049 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.6 -42.78 99.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.77 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 646' ' ' LYS . 1.8 mmp_? -60.38 -37.92 82.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.696 HD22 ' HG2' ' C' ' 652' ' ' GLN . 22.6 tp -66.51 -39.38 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.701 ' HG2' HD22 ' A' ' 651' ' ' LEU . 3.5 mt-30 -55.88 -41.79 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 -179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.323 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.407 ' OE2' HG12 ' C' ' 655' ' ' VAL . 21.0 tt0 -59.03 -44.65 91.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.634 HG21 HD11 ' A' ' 651' ' ' LEU . 18.0 t -60.93 -40.73 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -34.32 77.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.36 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 179.559 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.517 HG21 HG22 ' C' ' 658' ' ' ILE . 6.6 mt -65.79 -38.07 81.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.65 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -44.16 83.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -34.58 76.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' C' ' 662' ' ' LEU . . . -70.08 -36.21 74.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.355 -179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 661' ' ' ALA . 0.6 OUTLIER -74.03 -31.15 62.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 179.549 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.61 -37.92 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.948 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.601 ' O ' HG23 ' C' ' 609' ' ' VAL . 11.2 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.696 0.284 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.83 -38.82 80.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.88 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.05 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.601 HG23 ' O ' ' C' ' 605' ' ' SER . 3.5 t -66.41 -38.85 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.635 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.34 -48.45 81.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.166 0.508 . . . . 0.0 111.771 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.412 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 51.4 mt-10 -70.56 -28.21 64.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.524 179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.72 ' O ' HG23 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -65.0 -49.88 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.087 -179.765 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.583 ' HE ' HD22 ' B' ' 612' ' ' LEU . 7.7 tpp85 -64.49 -37.83 88.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.034 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 614' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 21.4 p -71.69 -27.49 63.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.695 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -48.96 31.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.97 0.414 . . . . 0.0 111.141 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.72 HG23 ' O ' ' C' ' 612' ' ' LEU . 1.4 t -68.6 -36.74 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.474 HH22 ' HG2' ' C' ' 620' ' ' ARG . 0.0 OUTLIER -63.59 -49.51 73.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.327 -179.727 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -43.73 88.68 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.002 179.653 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.807 HD21 HD13 ' A' ' 623' ' ' ILE . 19.6 tp -65.88 -36.7 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.474 ' HG2' HH22 ' C' ' 617' ' ' ARG . 0.0 OUTLIER -56.52 -42.67 78.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.893 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -38.17 90.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.475 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' C' ' 619' ' ' LEU . 25.0 mt -66.28 -36.74 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.581 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.798 HD13 HD21 ' B' ' 619' ' ' LEU . 0.9 OUTLIER -62.68 -42.63 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -47.73 73.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.269 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.03 -40.37 97.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.998 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.462 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 5.6 ttm -67.82 -40.83 83.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 15.1 ttmm -62.09 -49.27 76.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.41 -29.23 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.047 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.4 OUTLIER -64.19 -48.88 74.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 4.8 pt20 -66.54 -31.9 72.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.014 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' C' ' 634' ' ' ILE . 24.5 mttm -67.47 -41.4 84.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.41 -42.18 65.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.02 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.489 ' HB3' HG21 ' A' ' 634' ' ' ILE . 80.1 mt-10 -60.98 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 111.861 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.5 pp -68.05 -33.76 62.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.112 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -66.82 -43.32 84.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -44.82 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.03 -42.08 84.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -42.25 98.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -34.58 76.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.855 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 641' ' ' LEU . 2.2 mt-10 -72.12 -36.57 69.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.993 0.425 . . . . 0.0 110.839 179.879 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.6 OUTLIER -71.18 -38.73 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.599 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 642' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' C' ' 646' ' ' LYS . 15.4 m-20 -63.55 -47.09 82.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.476 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -34.19 77.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.283 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.912 179.799 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.765 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 646' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' C' ' 650' ' ' ARG . 0.3 OUTLIER -63.4 -45.64 90.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.242 -179.599 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.89 -38.47 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.092 0.472 . . . . 0.0 111.233 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.64 -42.21 99.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.59 -42.72 99.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' C' ' 646' ' ' LYS . 1.8 mmp_? -60.46 -37.85 82.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.687 HD22 ' HG2' ' A' ' 652' ' ' GLN . 22.4 tp -66.57 -39.37 88.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.696 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.83 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.121 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -44.36 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.327 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.407 ' OE2' HG12 ' A' ' 655' ' ' VAL . 21.0 tt0 -58.98 -44.69 91.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.499 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.636 HG21 HD11 ' B' ' 651' ' ' LEU . 17.7 t -60.97 -40.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.74 -44.25 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.517 HG22 HG21 ' B' ' 658' ' ' ILE . 6.7 mt -65.94 -38.01 81.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.661 -179.714 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.19 83.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -34.58 76.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 661' ' ' ALA . . . . . 0.497 ' HB1' HD21 ' A' ' 662' ' ' LEU . . . -70.02 -36.23 74.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.503 HD21 ' HB1' ' B' ' 661' ' ' ALA . 0.6 OUTLIER -74.13 -31.08 62.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.617 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.67 -37.82 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p -71.78 -43.46 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 665' ' ' LYS . . . . . 0.711 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.67 ' O ' HG23 ' A' ' 609' ' ' VAL . 4.7 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.57 -37.31 82.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.74 83.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 608' ' ' ALA . . . . . 0.577 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -61.49 -32.66 72.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.442 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 605' ' ' SER . 82.4 t -60.88 -40.12 84.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.519 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.65 -39.63 74.05 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.186 0.517 . . . . 0.0 111.761 179.645 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.639 ' O ' HG22 ' A' ' 614' ' ' THR . 12.5 mt-10 -63.35 -42.63 98.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.492 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.806 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.1 mm? -65.33 -36.55 84.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.751 0.31 . . . . 0.0 111.056 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.822 ' HG2' HD21 ' C' ' 612' ' ' LEU . 10.4 mtt180 -59.29 -45.35 91.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 -179.801 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 611' ' ' GLU . 1.3 t -67.59 -28.15 67.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.656 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 611' ' ' GLU . 45.2 mm-40 -68.51 -48.15 65.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.155 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.437 HG11 ' HB2' ' C' ' 615' ' ' GLN . 2.5 m -65.34 -41.91 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.41 -45.49 94.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.287 -179.695 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 622' ' ' ILE . 6.3 tp10 -66.55 -30.92 71.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 615' ' ' GLN . 28.2 mt -70.1 -39.85 75.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.997 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.657 HH11 ' HB2' ' A' ' 620' ' ' ARG . 0.1 OUTLIER -60.07 -44.99 94.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.822 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 621' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 625' ' ' THR . 2.9 p -67.69 -34.49 77.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.534 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' A' ' 626' ' ' MET . 1.4 mt -62.42 -46.86 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' B' ' 623' ' ' ILE . 3.1 mt -67.17 -41.8 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.296 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.33 -49.33 77.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 625' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 621' ' ' SER . 44.9 p -63.8 -49.9 71.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.02 179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 622' ' ' ILE . 3.9 mtt -59.2 -33.13 70.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.523 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 1.5 tmtm? -73.11 -39.21 65.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -47.58 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.67 -47.31 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -39.81 91.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.04 -42.58 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.956 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.712 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.9 mm-40 -61.57 -37.97 85.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 111.904 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.728 ' O ' HD12 ' A' ' 638' ' ' LEU . 2.3 mt -69.85 -41.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.045 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -43.15 97.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -35.01 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.2 OUTLIER -64.42 -46.57 82.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 179.697 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.1 mt -60.22 -41.95 94.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -41.16 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.411 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.2 tt0 -62.76 -41.71 99.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.445 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -62.36 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.768 179.615 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -36.83 75.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.489 -179.345 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -66.87 -46.38 75.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.28 179.248 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.583 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 2.4 tt0 -64.74 -34.69 78.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.814 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.11 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.761 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.43 -49.44 75.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.592 HG22 HE22 ' B' ' 652' ' ' GLN . 2.8 mt -66.25 -38.41 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 120.998 0.428 . . . . 0.0 111.198 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.7 ttp-105 -63.58 -39.95 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.69 -38.53 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.759 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 650' ' ' ARG . 0.0 OUTLIER -66.1 -46.38 77.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.685 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 655' ' ' VAL . 18.0 tp -59.79 -35.68 75.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.724 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.4 OUTLIER -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -46.96 78.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 658' ' ' ILE . 1.0 OUTLIER -62.39 -38.42 89.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.565 179.617 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 651' ' ' LEU . 69.7 t -60.82 -42.87 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -179.566 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.72 -40.16 96.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.35 -36.42 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 654' ' ' GLU . 56.1 mt -68.93 -45.23 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.647 -179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.523 ' HG3' HG12 ' C' ' 658' ' ' ILE . 9.4 tttm -64.97 -41.67 95.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 111.071 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.39 88.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.0 76.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.367 -179.788 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.48 -36.88 76.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 663' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 38.0 mt-30 -74.57 -34.77 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.687 ' O ' HG23 ' B' ' 609' ' ' VAL . 4.6 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.709 0.29 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.47 -37.33 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.25 -42.75 83.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 608' ' ' ALA . . . . . 0.593 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -61.56 -32.59 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.453 -179.756 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 605' ' ' SER . 81.6 t -60.94 -40.12 84.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.607 -179.598 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.68 -39.65 74.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.708 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.653 ' O ' HG22 ' B' ' 614' ' ' THR . 12.6 mt-10 -63.34 -42.69 98.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.827 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -65.21 -36.57 84.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.806 ' HG2' HD21 ' A' ' 612' ' ' LEU . 10.4 mtt180 -59.37 -45.3 91.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 614' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 611' ' ' GLU . 1.3 t -67.65 -28.13 67.46 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.6 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 611' ' ' GLU . 45.2 mm-40 -68.45 -48.24 65.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 111.16 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 615' ' ' GLN . 2.5 m -65.26 -41.94 92.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.41 -45.4 94.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.286 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.459 ' O ' HD12 ' B' ' 622' ' ' ILE . 6.3 tp10 -66.58 -30.9 71.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.014 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 615' ' ' GLN . 28.3 mt -70.14 -39.84 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.667 HH11 ' HB2' ' B' ' 620' ' ' ARG . 0.1 OUTLIER -60.19 -44.93 94.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 621' ' ' SER . . . . . 0.711 ' O ' HG23 ' B' ' 625' ' ' THR . 2.9 p -67.72 -34.47 76.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 179.526 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.553 HG23 ' SD ' ' B' ' 626' ' ' MET . 1.4 mt -62.46 -46.8 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.989 0.423 . . . . 0.0 111.574 -179.667 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.28 -41.8 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.28 -49.34 77.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.27 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 625' ' ' THR . . . . . 0.711 HG23 ' O ' ' B' ' 621' ' ' SER . 44.9 p -63.78 -50.01 70.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.553 ' SD ' HG23 ' B' ' 622' ' ' ILE . 3.9 mtt -59.08 -33.16 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.5 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 1.5 tmtm? -73.06 -39.25 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.52 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -38.69 92.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.694 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HB3' ' NE2' ' A' ' 630' ' ' GLN . 1.5 tp-100 -65.57 -47.37 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.975 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.7 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.08 -42.54 99.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.948 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.725 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.9 mm-40 -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 111.853 -178.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.726 ' O ' HD12 ' B' ' 638' ' ' LEU . 2.3 mt -69.89 -41.02 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.056 179.267 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -43.06 97.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.518 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -35.04 79.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.985 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.2 OUTLIER -64.35 -46.56 82.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.778 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.726 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.1 mt -60.27 -41.93 94.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.413 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.2 tt0 -62.71 -41.73 99.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.26 -43.55 98.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.732 179.586 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.96 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.507 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.57 ' O ' HD12 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -66.74 -46.49 75.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 179.23 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 2.4 tt0 -64.75 -34.65 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.575 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 10.5 mttm -66.23 -40.12 90.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.48 -49.32 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.679 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.595 HG22 HE22 ' C' ' 652' ' ' GLN . 2.8 mt -66.27 -38.44 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.052 0.453 . . . . 0.0 111.232 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.583 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -63.53 -39.99 95.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.042 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.61 -38.6 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -66.08 -46.36 77.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 179.922 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.74 ' O ' HG23 ' B' ' 655' ' ' VAL . 17.9 tp -59.84 -35.59 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.738 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.702 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.4 OUTLIER -63.33 -39.44 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.165 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -46.97 78.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.627 ' O ' HG13 ' B' ' 658' ' ' ILE . 1.0 OUTLIER -62.37 -38.54 89.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.498 179.638 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 651' ' ' LEU . 70.1 t -60.72 -42.94 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.75 -40.11 95.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.38 -36.39 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.746 179.59 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 654' ' ' GLU . 55.8 mt -68.89 -45.22 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.755 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.535 ' HG3' HG12 ' A' ' 658' ' ' ILE . 9.4 tttm -65.0 -41.7 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.33 89.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.37 -33.99 76.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.42 -36.97 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 663' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' B' ' 659' ' ' LYS . 38.0 mt-30 -74.5 -34.81 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.686 ' O ' HG23 ' C' ' 609' ' ' VAL . 4.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.776 0.322 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -67.68 -37.23 82.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.26 -42.81 83.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 608' ' ' ALA . . . . . 0.597 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -61.46 -32.64 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 605' ' ' SER . 81.7 t -60.97 -39.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.517 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.79 -39.51 74.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.138 0.494 . . . . 0.0 111.819 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.665 ' O ' HG22 ' C' ' 614' ' ' THR . 12.6 mt-10 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.442 179.386 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.822 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -65.23 -36.58 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.752 0.31 . . . . 0.0 111.13 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.827 ' HG2' HD21 ' B' ' 612' ' ' LEU . 10.4 mtt180 -59.38 -45.31 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.021 -179.784 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 614' ' ' THR . . . . . 0.665 HG22 ' O ' ' C' ' 611' ' ' GLU . 1.3 t -67.6 -28.14 67.5 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.638 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' C' ' 611' ' ' GLU . 45.2 mm-40 -68.47 -48.17 65.2 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.065 0.459 . . . . 0.0 111.186 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 615' ' ' GLN . 2.5 m -65.36 -41.84 92.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.51 -45.41 94.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.472 ' O ' HD12 ' C' ' 622' ' ' ILE . 6.3 tp10 -66.52 -30.92 71.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.63 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' C' ' 615' ' ' GLN . 28.1 mt -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.78 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.673 HH11 ' HB2' ' C' ' 620' ' ' ARG . 0.1 OUTLIER -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.86 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' C' C ' 621' ' ' SER . . . . . 0.704 ' O ' HG23 ' C' ' 625' ' ' THR . 2.9 p -67.73 -34.42 76.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.646 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.548 HG23 ' SD ' ' C' ' 626' ' ' MET . 1.4 mt -62.56 -46.72 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.539 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.29 -41.74 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.38 -49.29 77.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.434 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 625' ' ' THR . . . . . 0.704 HG23 ' O ' ' C' ' 621' ' ' SER . 45.0 p -63.8 -49.98 70.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.548 ' SD ' HG23 ' C' ' 622' ' ' ILE . 3.9 mtt -59.22 -33.04 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 1.5 tmtm? -73.09 -39.25 65.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.49 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -38.63 91.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.415 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.56 -47.34 76.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.976 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.71 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -61.98 -42.61 99.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.999 179.66 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.711 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.9 mm-40 -61.48 -38.09 86.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 111.878 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.731 ' O ' HD12 ' C' ' 638' ' ' LEU . 2.3 mt -69.83 -40.99 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.156 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.1 97.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.466 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -35.01 79.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.59 HD22 HD22 ' B' ' 637' ' ' LEU . 0.2 OUTLIER -64.36 -46.6 82.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.595 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.731 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.1 mt -60.17 -41.94 93.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.204 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.23 91.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.417 ' HG2' HD22 ' A' ' 641' ' ' LEU . 31.2 tt0 -62.59 -41.75 99.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.029 0.443 . . . . 0.0 110.944 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.435 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.34 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.808 179.582 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -36.84 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.55 -179.399 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.57 ' O ' HD12 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -66.79 -46.45 75.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.21 179.207 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 2.4 tt0 -64.81 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.19 90.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.39 -49.42 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.589 HG22 HE22 ' A' ' 652' ' ' GLN . 2.8 mt -66.28 -38.36 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.998 0.428 . . . . 0.0 111.223 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.559 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.7 ttp-105 -63.61 -39.87 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.76 -38.54 89.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 650' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -66.01 -46.5 77.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.757 ' O ' HG23 ' C' ' 655' ' ' VAL . 17.9 tp -59.78 -35.61 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.708 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.175 -179.795 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -47.06 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.327 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.628 ' O ' HG13 ' C' ' 658' ' ' ILE . 1.0 OUTLIER -62.29 -38.45 89.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.573 179.578 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.757 HG23 ' O ' ' C' ' 651' ' ' LEU . 69.9 t -60.86 -42.84 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.82 -40.03 95.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -36.46 84.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.628 HG13 ' O ' ' C' ' 654' ' ' GLU . 56.3 mt -68.99 -45.15 80.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.668 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.538 ' HG3' HG12 ' B' ' 658' ' ' ILE . 9.4 tttm -65.03 -41.62 95.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -45.34 88.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.34 -34.05 76.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.45 -36.88 77.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.503 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 663' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' C' ' 659' ' ' LYS . 38.0 mt-30 -74.58 -34.74 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -35.24 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 609' ' ' VAL . 4.0 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.32 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.38 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.32 85.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 608' ' ' ALA . . . . . 0.743 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -69.17 -36.78 77.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.43 -179.701 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.762 HG11 ' HB1' ' C' ' 608' ' ' ALA . 74.6 t -66.49 -36.84 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.608 -179.561 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.63 84.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.15 0.5 . . . . 0.0 111.772 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 615' ' ' GLN . 3.5 mt-10 -60.17 -37.83 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.468 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.559 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.2 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' C' ' 612' ' ' LEU . 4.1 mmt180 -55.05 -46.44 75.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.2 t -69.34 -29.44 67.25 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.63 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 611' ' ' GLU . 2.0 mt-30 -68.83 -43.52 75.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.405 HG21 ' OE1' ' C' ' 615' ' ' GLN . 4.0 m -68.75 -37.28 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -62.76 -49.74 73.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.342 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.681 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -61.12 -46.94 88.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 -179.776 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.44 ' HA ' HD12 ' A' ' 623' ' ' ILE . 1.0 OUTLIER -62.26 -34.31 76.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.856 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 5.9 m -67.4 -34.67 77.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 619' ' ' LEU . 9.1 mt -63.93 -44.78 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.619 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.485 ' H ' HG13 ' A' ' 623' ' ' ILE . 1.5 mt -66.17 -34.96 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.52 -50.79 62.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -45.81 91.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.977 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.589 ' SD ' HG22 ' A' ' 622' ' ' ILE . 3.9 mtt -61.2 -37.5 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.502 ' NZ ' ' HB3' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -65.24 -41.72 94.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.085 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 628' ' ' ASP . . . . . 0.488 ' HB3' HH12 ' A' ' 632' ' ' ARG . 0.7 OUTLIER -63.86 -39.16 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.815 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.505 ' HB3' ' NZ ' ' B' ' 627' ' ' LYS . 7.2 tp-100 -60.92 -49.51 77.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -61.56 -34.55 75.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.88 -32.05 68.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 632' ' ' ARG . . . . . 0.488 HH12 ' HB3' ' A' ' 628' ' ' ASP . 0.1 OUTLIER -65.51 -44.48 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.016 179.643 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.53 -39.3 88.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.048 0.451 . . . . 0.0 111.951 -179.054 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 638' ' ' LEU . 6.8 mt -63.59 -38.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.12 179.215 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -44.71 87.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.496 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -32.96 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.2 mt -66.05 -40.36 90.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.5 mt -64.89 -38.16 90.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.113 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -38.51 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.727 ' HG2' HD22 ' B' ' 641' ' ' LEU . 65.9 tt0 -65.61 -42.87 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.833 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.85 -43.42 96.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.795 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -34.17 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.519 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -66.38 -42.53 87.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.223 179.288 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.592 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 11.0 tt0 -72.18 -33.85 67.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.52 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -41.29 97.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.7 mt -70.97 -44.0 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 111.194 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.595 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.6 ttp-105 -58.75 -37.63 76.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.065 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.49 -44.78 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 650' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 650' ' ' ARG . 5.3 tmm_? -61.47 -34.68 75.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.918 ' O ' HG23 ' A' ' 655' ' ' VAL . 19.9 tp -66.07 -36.81 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.437 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.81 79.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.127 -179.791 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.278 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.82 87.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.495 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 651' ' ' LEU . 13.9 t -66.22 -47.96 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.175 -179.42 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.86 -46.82 83.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.5 mt -71.28 -35.93 59.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.658 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.74 -44.05 74.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.31 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.53 91.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.77 72.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' C' ' 662' ' ' LEU . 0.9 OUTLIER -63.67 -27.68 69.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 179.628 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -39.32 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.9 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -42.33 96.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.3 85.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 608' ' ' ALA . . . . . 0.742 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -69.05 -36.83 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.743 HG11 ' HB1' ' A' ' 608' ' ' ALA . 74.4 t -66.49 -36.85 78.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.62 84.66 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 111.769 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' B' ' 615' ' ' GLN . 3.5 mt-10 -60.25 -37.73 81.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 179.421 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.543 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.19 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.559 ' HG2' HD21 ' A' ' 612' ' ' LEU . 4.1 mmt180 -55.09 -46.5 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.2 t -69.33 -29.37 67.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.638 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 611' ' ' GLU . 2.0 mt-30 -68.85 -43.49 75.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.987 0.422 . . . . 0.0 111.087 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.403 HG21 ' OE1' ' A' ' 615' ' ' GLN . 4.0 m -68.79 -37.24 77.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -62.83 -49.69 73.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.384 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -69.35 -29.62 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 179.646 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.703 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.2 OUTLIER -61.12 -46.99 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.985 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' B' ' 623' ' ' ILE . 1.0 OUTLIER -62.14 -34.42 76.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.38 -34.59 77.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 179.498 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' B' ' 619' ' ' LEU . 9.2 mt -63.95 -44.87 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.557 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.492 ' H ' HG13 ' B' ' 623' ' ' ILE . 1.5 mt -66.11 -35.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.17 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.4 -50.92 61.83 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.56 -45.87 90.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.597 ' SD ' HG22 ' B' ' 622' ' ' ILE . 3.9 mtt -61.22 -37.4 82.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.864 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -65.35 -41.66 93.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.847 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 628' ' ' ASP . . . . . 0.484 ' HB3' HH12 ' B' ' 632' ' ' ARG . 0.7 OUTLIER -63.81 -39.29 93.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.046 -179.868 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.499 ' HB3' ' NZ ' ' C' ' 627' ' ' LYS . 7.2 tp-100 -60.86 -49.46 77.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.741 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -61.67 -34.56 75.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 -179.734 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.402 ' HG3' ' OE1' ' A' ' 630' ' ' GLN . 6.2 mttp -70.8 -32.07 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.484 HH12 ' HB3' ' B' ' 628' ' ' ASP . 0.1 OUTLIER -65.54 -44.37 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.022 179.642 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.65 -39.24 88.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 111.93 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.651 ' O ' HD12 ' B' ' 638' ' ' LEU . 6.9 mt -63.62 -38.45 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.14 179.204 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -44.82 87.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.44 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.527 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.2 mt -66.0 -40.41 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.651 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.6 mt -64.85 -38.14 89.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.5 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.712 ' HG2' HD22 ' C' ' 641' ' ' LEU . 65.8 tt0 -65.62 -42.83 91.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.5 OUTLIER -63.89 -43.44 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.724 179.586 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.488 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.425 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -66.32 -42.52 88.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.298 179.237 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.592 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 11.0 tt0 -72.22 -33.89 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.46 -43.13 99.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.754 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.8 mt -71.01 -43.97 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 111.164 -179.637 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.592 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -58.72 -37.69 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.063 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.44 -44.9 85.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.64 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 650' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 650' ' ' ARG . 5.3 tmm_? -61.42 -34.7 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.691 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.925 ' O ' HG23 ' B' ' 655' ' ' VAL . 19.9 tp -66.06 -36.79 84.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.741 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.447 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.1 OUTLIER -56.32 -43.82 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.108 -179.768 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -40.71 96.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.881 0.372 . . . . 0.0 111.367 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.83 87.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 179.569 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 651' ' ' LEU . 13.8 t -66.15 -48.0 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 -179.484 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.46 -28.7 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.91 -46.83 83.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.5 mt -71.28 -35.91 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.66 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.77 -44.05 74.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.43 90.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.66 72.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.301 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.598 ' HG ' HD11 ' C' ' 662' ' ' LEU . 0.9 OUTLIER -63.61 -27.71 69.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -39.32 62.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.422 ' O ' HG23 ' C' ' 609' ' ' VAL . 4.0 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.37 -42.32 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.28 -37.29 84.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 608' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -69.15 -36.74 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.742 HG11 ' HB1' ' B' ' 608' ' ' ALA . 74.2 t -66.54 -36.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.39 -38.6 84.46 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.131 0.491 . . . . 0.0 111.784 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' C' ' 615' ' ' GLN . 3.5 mt-10 -60.28 -37.76 81.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.41 179.446 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -70.86 -38.16 73.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 111.092 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.543 ' HG2' HD21 ' B' ' 612' ' ' LEU . 4.1 mmt180 -55.05 -46.51 75.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 5.2 t -69.37 -29.42 67.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.631 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' C' ' 611' ' ' GLU . 2.0 mt-30 -68.81 -43.45 75.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 111.163 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.405 HG21 ' OE1' ' B' ' 615' ' ' GLN . 4.0 m -68.87 -37.17 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -62.9 -49.67 73.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.304 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -69.38 -29.52 67.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.2 OUTLIER -61.22 -46.98 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.83 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.451 ' HA ' HD12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -62.12 -34.38 76.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.981 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.51 -34.54 77.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' C' ' 619' ' ' LEU . 9.2 mt -63.9 -44.85 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.652 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.5 mt -66.17 -34.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.219 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.53 -50.87 61.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -45.88 90.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.587 ' SD ' HG22 ' C' ' 622' ' ' ILE . 3.8 mtt -61.23 -37.43 83.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.499 ' NZ ' ' HB3' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.858 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 628' ' ' ASP . . . . . 0.494 ' HB3' HH12 ' C' ' 632' ' ' ARG . 0.7 OUTLIER -63.89 -39.22 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.899 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.502 ' HB3' ' NZ ' ' A' ' 627' ' ' LYS . 7.2 tp-100 -60.85 -49.51 77.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.811 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -34.58 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.401 ' HG3' ' OE1' ' B' ' 630' ' ' GLN . 6.2 mttp -70.77 -32.11 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 632' ' ' ARG . . . . . 0.494 HH12 ' HB3' ' C' ' 628' ' ' ASP . 0.1 OUTLIER -65.53 -44.47 86.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.953 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.52 -39.36 88.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 111.935 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.642 ' O ' HD12 ' C' ' 638' ' ' LEU . 6.9 mt -63.57 -38.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.098 179.238 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -44.73 87.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -33.05 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.2 mt -65.99 -40.44 91.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.781 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.642 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.5 mt -64.8 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.749 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -38.51 89.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.721 ' HG2' HD22 ' A' ' 641' ' ' LEU . 65.8 tt0 -65.58 -42.91 91.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.82 -43.52 96.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.745 179.574 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -34.27 76.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.522 -179.382 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.417 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -66.25 -42.68 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.224 179.282 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.595 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 11.0 tt0 -72.16 -33.86 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.55 -43.16 99.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.663 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.28 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.231 -179.618 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.7 mt -70.94 -43.95 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.114 0.483 . . . . 0.0 111.253 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.592 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.6 ttp-105 -58.8 -37.65 76.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.022 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.4 -44.89 86.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -61.41 -34.7 75.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.921 ' O ' HG23 ' C' ' 655' ' ' VAL . 19.9 tp -66.0 -36.82 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.446 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.85 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.191 -179.838 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -40.74 96.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.58 -37.79 87.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.524 179.59 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.921 HG23 ' O ' ' C' ' 651' ' ' LEU . 13.7 t -66.14 -48.03 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.43 -28.68 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.94 -46.86 82.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.716 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.5 mt -71.31 -35.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.662 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.76 -44.09 74.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -38.55 91.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 662' ' ' LEU . . . . . 0.598 HD11 ' HG ' ' B' ' 662' ' ' LEU . 0.9 OUTLIER -63.65 -27.7 69.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.53 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -39.36 62.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -17.35 54.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.615 ' O ' HG23 ' A' ' 609' ' ' VAL . 58.2 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -65.61 -44.07 87.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.85 -43.7 90.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 608' ' ' ALA . . . . . 0.644 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -63.36 -32.04 73.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.416 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.65 HG11 ' HB1' ' C' ' 608' ' ' ALA . 83.1 t -65.75 -35.47 75.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.563 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.3 OUTLIER -61.1 -32.49 72.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 111.838 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.73 -39.82 91.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.442 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.524 ' HB3' ' HG ' ' C' ' 612' ' ' LEU . 2.2 mm? -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.563 ' HG3' ' HA ' ' A' ' 610' ' ' GLU . 5.1 mtt180 -59.25 -45.46 91.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -71.05 -37.4 72.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.608 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.41 -50.65 70.66 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 111.123 -179.409 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 612' ' ' LEU . 30.3 m -63.39 -43.59 98.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.415 ' N ' HG23 ' A' ' 616' ' ' VAL . 1.5 tpp180 -56.42 -52.12 65.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.389 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.58 -33.65 76.42 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 179.641 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.83 -48.31 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -62.02 -41.02 97.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.907 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -62.0 -34.47 76.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.98 -45.75 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.603 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 620' ' ' ARG . 2.0 mt -67.51 -34.19 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.98 -52.77 54.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -179.38 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.25 -38.44 90.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.013 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.56 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 4.1 mtt -60.6 -44.15 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.57 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.1 OUTLIER -67.72 -35.93 79.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 628' ' ' ASP . . . . . 0.544 ' HB3' ' NH2' ' A' ' 632' ' ' ARG . 0.7 OUTLIER -67.24 -40.48 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.004 -179.814 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.447 ' HB3' ' HZ1' ' B' ' 627' ' ' LYS . 0.5 OUTLIER -66.48 -46.13 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.538 ' OE1' ' HA ' ' A' ' 630' ' ' GLN . 0.4 OUTLIER -64.89 -37.99 89.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.804 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 1.8 tttp -61.02 -41.3 96.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 632' ' ' ARG . . . . . 0.544 ' NH2' ' HB3' ' A' ' 628' ' ' ASP . 6.3 mtm180 -64.18 -37.61 88.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.98 179.669 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' B' ' 634' ' ' ILE . 3.6 mt-10 -63.27 -41.66 99.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.065 0.46 . . . . 0.0 111.891 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.632 HG23 HD12 ' C' ' 637' ' ' LEU . 61.6 mt -67.79 -47.64 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.101 179.242 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -52.8 -49.04 66.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.444 -179.541 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -39.94 78.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.921 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.624 HD12 HG23 ' B' ' 634' ' ' ILE . 1.0 OUTLIER -62.93 -35.39 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.688 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -40.87 96.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.31 -36.11 78.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.39 -40.17 89.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.011 0.434 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -43.74 86.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.746 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.02 -39.8 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.484 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 643' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 tp10 -60.69 -41.58 95.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.203 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.486 ' HG3' ' HE2' ' B' ' 645' ' ' LYS . 0.3 OUTLIER -65.35 -32.92 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.856 179.88 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.482 ' HE2' ' HG3' ' C' ' 644' ' ' GLU . 18.1 mmtt -65.73 -36.77 84.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.27 -48.41 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -64.96 -40.2 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.065 0.46 . . . . 0.0 111.211 -179.656 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.47 HH21 HE22 ' A' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.09 90.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -43.58 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -63.32 -34.81 78.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.687 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' B' ' 652' ' ' GLN . 13.7 tp -64.05 -44.87 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.799 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.0 OUTLIER -53.58 -41.83 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 -179.764 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.76 -40.64 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.302 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.96 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.59 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 651' ' ' LEU . 60.1 t -60.07 -46.96 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.14 -179.548 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -61.71 -29.08 69.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.32 -46.5 76.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.4 mt -67.09 -38.59 81.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.726 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.06 -41.82 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.83 76.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.328 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -27.88 68.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.54 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.84 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 179.967 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.627 ' O ' HG23 ' B' ' 609' ' ' VAL . 58.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -65.65 -44.01 87.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.79 90.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 608' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -63.32 -31.98 73.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.644 HG11 ' HB1' ' A' ' 608' ' ' ALA . 83.0 t -65.82 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 -179.479 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 610' ' ' GLU . . . . . 0.565 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.3 OUTLIER -61.2 -32.62 72.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.167 0.508 . . . . 0.0 111.764 179.651 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.51 -39.92 92.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 2.2 mm? -71.03 -33.79 70.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.565 ' HG3' ' HA ' ' B' ' 610' ' ' GLU . 5.1 mtt180 -59.3 -45.48 91.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.013 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -71.11 -37.25 72.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.664 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.46 -50.71 70.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.997 0.427 . . . . 0.0 111.171 -179.531 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.448 HG22 ' O ' ' B' ' 612' ' ' LEU . 30.2 m -63.3 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.416 ' N ' HG23 ' B' ' 616' ' ' VAL . 1.5 tpp180 -56.41 -52.19 65.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.277 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.55 -33.6 76.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -55.84 -48.33 75.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -62.08 -40.97 97.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.99 -34.44 76.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.02 -45.7 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.636 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' B' ' 620' ' ' ARG . 2.0 mt -67.6 -34.09 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.09 -52.7 54.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.35 -38.39 89.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.957 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.562 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 4.2 mtt -60.58 -44.14 96.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.56 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.1 OUTLIER -67.79 -35.89 79.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.839 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 628' ' ' ASP . . . . . 0.546 ' HB3' ' NH2' ' B' ' 632' ' ' ARG . 0.7 OUTLIER -67.34 -40.36 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 -179.781 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.482 ' HB3' ' HZ1' ' C' ' 627' ' ' LYS . 0.4 OUTLIER -66.5 -46.09 77.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.669 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.548 ' HA ' ' OE1' ' B' ' 630' ' ' GLN . 0.4 OUTLIER -65.01 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.729 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.402 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 1.8 tttp -61.07 -41.25 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.546 ' NH2' ' HB3' ' B' ' 628' ' ' ASP . 6.3 mtm180 -64.12 -37.68 88.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.983 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.5 ' HB2' HD13 ' C' ' 634' ' ' ILE . 3.6 mt-10 -63.26 -41.64 99.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.025 0.44 . . . . 0.0 111.882 -179.012 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.624 HG23 HD12 ' A' ' 637' ' ' LEU . 61.5 mt -67.76 -47.61 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.083 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -52.95 -49.01 66.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.405 -179.434 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -39.96 78.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.648 HD12 HG23 ' C' ' 634' ' ' ILE . 1.0 OUTLIER -62.91 -35.33 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.598 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -40.86 95.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 2.5 t -68.34 -35.97 78.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.79 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.5 -40.23 89.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.735 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.93 -39.82 86.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.528 -179.363 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 643' ' ' GLU . . . . . 0.544 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 tp10 -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.233 179.256 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.493 ' HG3' ' HE2' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -65.33 -32.92 74.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.486 ' HE2' ' HG3' ' A' ' 644' ' ' GLU . 18.2 mmtt -65.72 -36.71 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.35 -48.37 73.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -64.95 -40.27 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.16 -179.651 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.467 HH21 HE22 ' B' ' 652' ' ' GLN . 9.6 ttp-105 -63.79 -45.26 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -43.57 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.83 78.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.802 HD13 ' HG3' ' C' ' 652' ' ' GLN . 13.7 tp -64.09 -44.84 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.76 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.0 OUTLIER -53.56 -41.84 66.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.184 -179.824 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -40.7 93.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.337 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 654' ' ' GLU . . . . . 0.481 ' O ' HG13 ' B' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.99 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.551 179.617 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 651' ' ' LEU . 60.2 t -60.02 -46.9 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 111.21 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -61.72 -29.11 69.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.28 -46.51 76.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.4 mt -67.19 -38.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.633 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.09 -41.76 90.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.79 -35.83 80.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.87 76.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.363 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.93 68.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.88 31.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.624 ' O ' HG23 ' C' ' 609' ' ' VAL . 58.3 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.794 0.33 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -65.78 -43.92 87.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.7 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 608' ' ' ALA . . . . . 0.65 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -63.32 -32.01 73.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.405 -179.78 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.651 HG11 ' HB1' ' B' ' 608' ' ' ALA . 82.9 t -65.73 -35.5 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.554 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 610' ' ' GLU . . . . . 0.548 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.3 OUTLIER -61.13 -32.56 72.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.073 0.463 . . . . 0.0 111.79 179.605 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.64 -39.87 91.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.527 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 2.2 mm? -70.99 -33.91 70.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.548 ' HG3' ' HA ' ' C' ' 610' ' ' GLU . 5.2 mtt180 -59.26 -45.45 91.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.027 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -71.06 -37.36 72.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.652 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.43 -50.73 70.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 -179.516 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.44 HG22 ' O ' ' C' ' 612' ' ' LEU . 30.1 m -63.21 -43.7 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 617' ' ' ARG . . . . . 0.409 ' N ' HG23 ' C' ' 616' ' ' VAL . 1.5 tpp180 -56.39 -52.16 65.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.57 -33.62 76.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.439 ' HB3' HD22 ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.89 -48.28 75.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.986 -179.837 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -61.97 -41.03 97.56 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.862 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.97 -34.52 76.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 50.3 mt -69.0 -45.73 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' C' ' 620' ' ' ARG . 2.0 mt -67.54 -34.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.02 -52.74 54.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.253 -179.358 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.29 -38.36 90.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.02 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.57 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 4.2 mtt -60.6 -44.14 96.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.1 OUTLIER -67.72 -35.98 79.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 -179.87 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 628' ' ' ASP . . . . . 0.549 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.7 OUTLIER -67.26 -40.36 86.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -179.803 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.4 ' HB3' ' HZ1' ' A' ' 627' ' ' LYS . 0.4 OUTLIER -66.52 -46.14 77.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.774 179.694 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.4 OUTLIER -64.96 -37.93 89.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.001 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 1.8 tttp -61.08 -41.28 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 632' ' ' ARG . . . . . 0.549 ' NH2' ' HB3' ' C' ' 628' ' ' ASP . 6.3 mtm180 -64.15 -37.66 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' A' ' 634' ' ' ILE . 3.6 mt-10 -63.24 -41.67 99.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 0.0 111.909 -179.027 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.648 HG23 HD12 ' B' ' 637' ' ' LEU . 61.5 mt -67.76 -47.6 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.129 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -52.89 -48.99 66.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.442 -179.535 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -39.82 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.995 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 634' ' ' ILE . 1.0 OUTLIER -63.04 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.755 179.584 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -40.82 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.115 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.29 -36.07 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.728 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.45 -40.1 89.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -43.65 86.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.789 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.13 -39.71 87.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.473 -179.323 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 643' ' ' GLU . . . . . 0.541 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 tp10 -60.71 -41.61 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.173 179.266 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.482 ' HG3' ' HE2' ' A' ' 645' ' ' LYS . 0.3 OUTLIER -65.25 -32.95 74.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.903 179.859 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.493 ' HE2' ' HG3' ' B' ' 644' ' ' GLU . 18.1 mmtt -65.74 -36.71 84.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.3 -48.34 73.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.289 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.541 HG13 ' O ' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -64.94 -40.22 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 121.119 0.485 . . . . 0.0 111.215 -179.674 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.462 HH21 HE22 ' C' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.2 90.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.048 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -43.57 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.82 78.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.713 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.799 HD13 ' HG3' ' A' ' 652' ' ' GLN . 13.8 tp -64.07 -44.92 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.74 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.802 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.0 OUTLIER -53.51 -41.8 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 -179.796 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -40.64 93.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 654' ' ' GLU . . . . . 0.481 ' O ' HG13 ' C' ' 658' ' ' ILE . 32.3 tt0 -67.55 -42.03 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.454 HG23 ' O ' ' C' ' 651' ' ' LEU . 60.2 t -59.95 -46.9 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.999 0.428 . . . . 0.0 111.24 -179.578 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -61.81 -29.09 69.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.23 -46.54 76.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 179.595 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.481 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.4 mt -67.18 -38.56 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.681 -179.657 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.14 -41.71 90.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.323 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.85 -35.81 80.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.86 76.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.89 68.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.67 -27.82 31.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 15.5 m -74.4 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.772 0.32 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -63.62 -46.83 83.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.13 76.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 608' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -64.87 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.445 -179.716 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 1.038 HG11 ' HB1' ' C' ' 608' ' ' ALA . 85.0 t -68.8 -38.36 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.553 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.503 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.9 OUTLIER -55.26 -48.84 73.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 179.706 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 611' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 614' ' ' THR . 4.0 mt-10 -59.71 -34.03 72.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.668 HD21 ' HG2' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -70.26 -32.43 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.129 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.653 ' HG2' HD21 ' C' ' 612' ' ' LEU . 4.4 mtt180 -61.85 -46.24 90.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' A' ' 611' ' ' GLU . 1.5 t -64.6 -32.08 73.58 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.652 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 615' ' ' GLN . . . . . 0.409 ' HB3' HH22 ' B' ' 620' ' ' ARG . 2.0 mm-40 -68.02 -46.43 71.22 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.05 0.453 . . . . 0.0 111.157 -179.438 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.562 ' HB ' HH22 ' A' ' 620' ' ' ARG . 5.9 m -64.96 -39.98 87.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -54.8 33.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -58.57 -39.4 80.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.586 ' HA ' HD12 ' A' ' 622' ' ' ILE . 19.1 mt -56.18 -43.38 78.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.562 HH22 ' HB ' ' A' ' 616' ' ' VAL . 3.4 ttm105 -66.5 -32.78 74.35 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.04 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.04 -33.03 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.484 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 619' ' ' LEU . 64.7 mt -64.7 -49.42 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.613 -179.673 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.3 mt -61.39 -36.42 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.21 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.357 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.18 87.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.051 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.531 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 29.9 mtt -68.87 -35.53 77.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.809 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 3.1 tmtm? -65.28 -37.37 86.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.57 -39.56 67.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 629' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.0 OUTLIER -64.74 -41.86 95.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.794 179.684 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -43.84 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 631' ' ' LYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 2.5 mttp -64.76 -34.53 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -62.05 -39.39 92.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.983 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 25.4 mt-10 -72.45 -44.14 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.461 . . . . 0.0 111.904 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.32 -42.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.079 179.28 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 635' ' ' LYS . . . . . 0.513 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.52 -40.96 98.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.527 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -37.49 80.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' B' ' 638' ' ' LEU . 6.5 mt -68.32 -33.48 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.63 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.631 ' HA ' HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -63.37 -46.8 84.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.729 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -33.35 75.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.606 ' HB3' HD13 ' B' ' 641' ' ' LEU . 13.5 tt0 -66.81 -44.1 82.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' C' ' 640' ' ' GLU . 1.0 OUTLIER -65.97 -32.48 73.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.742 179.579 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.45 -44.84 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.391 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.69 -45.87 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.271 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 179.895 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.483 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 17.1 mmtt -64.08 -44.08 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -45.0 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.45 -38.77 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.026 0.441 . . . . 0.0 111.175 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 644' ' ' GLU . 0.0 OUTLIER -65.86 -40.06 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.009 -179.789 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -37.92 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.41 91.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.892 ' O ' HG23 ' A' ' 655' ' ' VAL . 9.9 tp -60.9 -40.46 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.425 ' OE1' HD22 ' C' ' 651' ' ' LEU . 0.6 OUTLIER -59.59 -42.13 91.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.122 -179.8 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -45.16 93.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.275 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.04 -42.9 99.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.536 179.629 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.2 t -65.23 -40.97 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.148 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -60.96 -41.08 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.02 -46.37 81.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.6 HD11 ' HD2' ' B' ' 659' ' ' LYS . 9.1 mt -61.13 -43.88 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.68 -179.689 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.595 ' HD2' HD11 ' C' ' 658' ' ' ILE . 10.1 tttt -67.09 -36.54 82.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -41.19 91.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.761 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.54 90.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.332 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.42 -29.6 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.992 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 43.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.761 0.315 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.58 -46.9 83.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.13 76.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 608' ' ' ALA . . . . . 1.011 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -64.78 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.473 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 608' ' ' ALA . 85.7 t -68.76 -38.32 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.69 -179.595 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 610' ' ' GLU . . . . . 0.49 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.9 OUTLIER -55.18 -48.84 73.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.209 0.528 . . . . 0.0 111.799 179.594 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.419 ' O ' ' CG2' ' B' ' 614' ' ' THR . 4.0 mt-10 -59.74 -34.08 72.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.433 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.683 HD21 ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -70.32 -32.35 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.04 -179.715 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.668 ' HG2' HD21 ' A' ' 612' ' ' LEU . 4.4 mtt180 -61.92 -46.29 89.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.956 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 614' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' B' ' 611' ' ' GLU . 1.5 t -64.59 -32.14 73.66 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.659 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.404 ' HB3' HH22 ' C' ' 620' ' ' ARG . 2.0 mm-40 -67.87 -46.46 71.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -179.522 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 616' ' ' VAL . . . . . 0.555 ' HB ' HH22 ' B' ' 620' ' ' ARG . 6.0 m -64.94 -40.01 87.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -54.82 32.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.296 -179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.5 -39.43 80.04 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' B' ' 622' ' ' ILE . 19.1 mt -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.007 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.555 HH22 ' HB ' ' B' ' 616' ' ' VAL . 3.4 ttm105 -66.6 -32.81 74.38 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.06 -33.02 65.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' B' ' 619' ' ' LEU . 64.5 mt -64.67 -49.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.643 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.3 mt -61.38 -36.38 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.238 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.79 -45.0 79.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -179.418 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -42.13 86.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.028 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.509 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 29.9 mtt -68.95 -35.45 76.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 3.1 tmtm? -65.3 -37.37 86.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.59 -39.62 67.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.057 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 629' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.0 OUTLIER -64.67 -41.95 95.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.794 179.702 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.45 -44.08 83.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 631' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 2.5 mttp -64.61 -34.59 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -62.03 -39.3 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.013 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 25.5 mt-10 -72.6 -44.11 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 111.852 -178.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.24 -42.36 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.13 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 635' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.476 -179.595 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -37.56 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.965 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' C' ' 638' ' ' LEU . 6.4 mt -68.31 -33.56 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 179.69 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HA ' HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -63.25 -46.84 84.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.119 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.611 ' HB3' HD13 ' C' ' 641' ' ' LEU . 13.6 tt0 -66.82 -44.14 81.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 640' ' ' GLU . 1.0 OUTLIER -65.89 -32.51 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.774 179.534 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 -44.79 77.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.559 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.82 -45.8 93.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.254 179.266 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -66.17 -32.31 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.946 179.83 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 17.1 mmtt -64.04 -44.11 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.88 -44.9 88.16 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.273 -179.662 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.45 -38.74 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.021 0.438 . . . . 0.0 111.243 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' B' ' 644' ' ' GLU . 0.0 OUTLIER -65.82 -40.04 91.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.088 -179.862 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.82 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.65 -39.47 91.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.632 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.874 ' O ' HG23 ' B' ' 655' ' ' VAL . 9.9 tp -60.89 -40.5 93.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.414 ' OE1' HD22 ' A' ' 651' ' ' LEU . 0.6 OUTLIER -59.51 -42.15 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.167 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -45.13 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.01 -42.93 99.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.874 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.2 t -65.22 -40.97 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 -179.454 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -60.97 -41.18 95.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.86 -46.44 81.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' C' ' 659' ' ' LYS . 9.1 mt -61.11 -43.89 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.655 -179.648 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.6 ' HD2' HD11 ' A' ' 658' ' ' ILE . 10.1 tttt -67.11 -36.58 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -41.15 91.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.59 90.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.308 -179.764 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -29.64 69.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.58 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 179.978 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.56 -46.83 84.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.22 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.8 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 608' ' ' ALA . . . . . 1.038 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -64.82 -33.64 76.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.497 -179.752 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 1.011 HG11 ' HB1' ' B' ' 608' ' ' ALA . 86.2 t -68.74 -38.36 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 610' ' ' GLU . . . . . 0.501 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.9 OUTLIER -55.17 -48.94 73.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.13 0.491 . . . . 0.0 111.752 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 611' ' ' GLU . . . . . 0.418 ' O ' ' CG2' ' C' ' 614' ' ' THR . 4.0 mt-10 -59.64 -34.15 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -70.25 -32.4 70.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 111.106 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.683 ' HG2' HD21 ' B' ' 612' ' ' LEU . 4.4 mtt180 -61.8 -46.26 90.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.031 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 614' ' ' THR . . . . . 0.418 ' CG2' ' O ' ' C' ' 611' ' ' GLU . 1.5 t -64.69 -32.09 73.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.569 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 615' ' ' GLN . . . . . 0.412 ' HB3' HH22 ' A' ' 620' ' ' ARG . 2.0 mm-40 -67.94 -46.55 71.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 111.104 -179.44 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 616' ' ' VAL . . . . . 0.563 ' HB ' HH22 ' C' ' 620' ' ' ARG . 6.0 m -64.84 -40.04 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -54.82 32.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.345 -179.759 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.54 -39.39 80.05 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 179.66 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' C' ' 622' ' ' ILE . 19.1 mt -56.14 -43.48 78.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 620' ' ' ARG . . . . . 0.563 HH22 ' HB ' ' C' ' 616' ' ' VAL . 3.4 ttm105 -66.51 -32.75 74.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.3 m -73.07 -33.03 65.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.609 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' C' ' 619' ' ' LEU . 64.9 mt -64.7 -49.44 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.682 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.3 mt -61.44 -36.39 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.163 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.83 -45.0 79.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.22 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.17 87.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.019 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.511 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 29.9 mtt -68.91 -35.51 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 3.1 tmtm? -65.21 -37.39 87.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.63 -39.57 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 629' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.0 OUTLIER -64.72 -41.94 95.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.808 179.71 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -66.51 -43.98 83.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 631' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 2.5 mttp -64.75 -34.56 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -62.07 -39.3 91.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 25.4 mt-10 -72.56 -44.04 62.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 111.926 -179.037 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.32 -42.42 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.103 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 635' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -40.95 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.465 -179.552 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.57 80.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 638' ' ' LEU . 6.5 mt -68.23 -33.53 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.618 ' HA ' HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -63.38 -46.76 84.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.148 -179.693 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -33.33 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.597 ' HB3' HD13 ' A' ' 641' ' ' LEU . 13.5 tt0 -66.9 -44.14 81.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.992 0.425 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' B' ' 640' ' ' GLU . 1.0 OUTLIER -65.93 -32.42 73.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.759 179.573 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.54 -44.78 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.503 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.79 -45.81 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 179.274 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -66.2 -32.38 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.851 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 17.1 mmtt -64.01 -44.09 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.86 -44.94 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 -179.656 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.47 -38.8 77.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.043 0.449 . . . . 0.0 111.229 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' C' ' 644' ' ' GLU . 0.0 OUTLIER -65.79 -40.01 91.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.037 -179.808 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -37.92 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.39 91.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.672 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.871 ' O ' HG23 ' C' ' 655' ' ' VAL . 9.9 tp -60.87 -40.53 93.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' B' ' 651' ' ' LEU . 0.6 OUTLIER -59.52 -42.11 91.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.211 -179.809 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.336 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -62.11 -42.94 99.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.527 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.871 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.0 t -65.09 -41.06 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -61.0 -41.04 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.03 -46.34 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 179.585 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.595 HD11 ' HD2' ' A' ' 659' ' ' LYS . 9.1 mt -61.17 -43.9 97.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.656 -179.647 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.593 ' HD2' HD11 ' B' ' 658' ' ' ILE . 10.0 tttt -67.03 -36.55 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -41.24 91.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.57 90.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.304 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -29.75 69.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.55 37.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.02 -66.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 609' ' ' VAL . 1.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.05 -44.13 85.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.47 81.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 608' ' ' ALA . . . . . 0.54 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -64.65 -33.95 77.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.714 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 605' ' ' SER . 44.3 t -67.21 -33.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.653 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -38.46 82.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.151 0.5 . . . . 0.0 111.758 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.75 -38.9 92.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 612' ' ' LEU . . . . . 0.64 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.7 -40.6 84.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.118 -179.8 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 613' ' ' ARG . . . . . 0.616 ' HG2' HD21 ' C' ' 612' ' ' LEU . 6.8 mtt180 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.026 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 7.0 t -70.42 -25.78 63.37 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.613 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.84 -47.1 63.99 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.977 0.417 . . . . 0.0 111.192 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.82 -39.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.69 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.324 -179.751 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.9 tp10 -63.37 -33.5 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 1.009 ' HA ' HD12 ' A' ' 622' ' ' ILE . 2.4 mt -61.38 -45.97 92.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 620' ' ' ARG . . . . . 0.4 ' HG3' HD21 ' C' ' 619' ' ' LEU . 1.3 mtm105 -61.19 -37.5 83.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 39.1 m -66.03 -35.05 79.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.64 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 1.009 HD12 ' HA ' ' A' ' 619' ' ' LEU . 26.6 mt -60.98 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.63 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 623' ' ' ILE . . . . . 0.669 HD13 HG12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.94 -33.31 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.236 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.11 -44.22 84.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -42.42 74.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.014 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 626' ' ' MET . . . . . 0.464 ' SD ' HG22 ' B' ' 623' ' ' ILE . 14.9 mtt -62.7 -40.63 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.441 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 1.4 tmtm? -67.56 -37.85 83.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.02 -39.21 83.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.72 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 630' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -67.59 -32.88 73.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.951 -179.772 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.22 -41.29 81.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.18 -40.07 93.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.001 179.67 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 633' ' ' GLU . . . . . 0.773 ' HB3' HG21 ' B' ' 634' ' ' ILE . 14.0 mt-10 -64.85 -42.09 95.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.038 0.447 . . . . 0.0 111.855 -179.059 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.788 HG21 ' HB3' ' C' ' 633' ' ' GLU . 98.1 mt -65.37 -42.14 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.062 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.465 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.8 76.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 637' ' ' LEU . . . . . 0.596 HD12 HG23 ' B' ' 634' ' ' ILE . 0.2 OUTLIER -63.34 -44.58 94.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 638' ' ' LEU . . . . . 0.549 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 1.3 mt -61.64 -36.69 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.731 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -41.92 98.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.796 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 640' ' ' GLU . . . . . 0.472 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.5 tt0 -65.16 -45.03 86.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.845 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 641' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -59.96 -40.86 90.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.799 179.576 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.4 -38.66 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.504 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.89 -47.99 75.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 644' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 647' ' ' ILE . 4.3 tt0 -62.54 -35.39 79.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.454 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 15.0 mmtt -59.69 -49.21 78.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.758 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -44.76 95.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.9 mt -64.16 -40.95 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 111.179 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 648' ' ' ARG . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 0.0 OUTLIER -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.745 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -40.46 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.7 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.76 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.723 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.851 HD11 HG21 ' B' ' 655' ' ' VAL . 11.6 tp -65.28 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 652' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' C' ' 651' ' ' LEU . 0.4 OUTLIER -62.83 -38.03 89.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 653' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 653' ' ' MET . 0.4 OUTLIER -59.99 -42.43 94.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.763 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.13 85.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.809 HG21 HD11 ' C' ' 651' ' ' LEU . 78.7 t -62.58 -44.54 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.24 -179.548 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.91 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.79 83.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.725 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.452 HG22 HG21 ' C' ' 658' ' ' ILE . 17.1 mt -65.47 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.632 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.494 ' HG2' ' OE1' ' A' ' 663' ' ' GLN . 10.6 tttm -64.19 -44.2 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.767 0.318 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.755 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.99 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.308 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -28.49 66.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.592 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 663' ' ' GLN . . . . . 0.494 ' OE1' ' HG2' ' A' ' 659' ' ' LYS . 11.1 mt-30 -80.11 -33.29 38.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 605' ' ' SER . . . . . 0.638 ' O ' HG23 ' B' ' 609' ' ' VAL . 1.4 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.781 0.324 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -65.96 -44.21 85.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.49 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 608' ' ' ALA . . . . . 0.538 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -64.66 -33.91 77.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.407 -179.739 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 609' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 605' ' ' SER . 44.6 t -67.24 -33.17 61.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.528 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -38.37 82.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 111.8 179.62 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 611' ' ' GLU . . . . . 0.4 ' O ' HG22 ' B' ' 614' ' ' THR . 1.6 mt-10 -64.79 -38.9 92.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.438 179.427 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 612' ' ' LEU . . . . . 0.648 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 0.9 OUTLIER -67.77 -40.61 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.091 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 613' ' ' ARG . . . . . 0.609 ' HG2' HD21 ' A' ' 612' ' ' LEU . 6.8 mtt180 -54.64 -46.63 73.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 614' ' ' THR . . . . . 0.4 HG22 ' O ' ' B' ' 611' ' ' GLU . 6.9 t -70.46 -25.78 63.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.607 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.8 -47.19 63.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 111.144 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.81 -39.91 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -58.71 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.33 -179.714 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 618' ' ' GLU . . . . . 0.43 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.9 tp10 -63.28 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.982 179.631 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 619' ' ' LEU . . . . . 0.965 ' HA ' HD12 ' B' ' 622' ' ' ILE . 2.4 mt -61.43 -45.9 92.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.723 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 620' ' ' ARG . . . . . 0.408 ' HG3' HD21 ' A' ' 619' ' ' LEU . 1.3 mtm105 -61.29 -37.43 83.15 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.13 -34.99 79.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 622' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' B' ' 619' ' ' LEU . 26.5 mt -60.95 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.654 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 623' ' ' ILE . . . . . 0.658 HG12 HD13 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.97 -33.28 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.194 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.15 -44.26 84.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.262 -179.361 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -42.46 74.31 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.007 179.779 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 626' ' ' MET . . . . . 0.465 ' SD ' HG22 ' C' ' 623' ' ' ILE . 15.0 mtt -62.7 -40.62 97.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.796 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 1.4 tmtm? -67.48 -37.87 83.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.063 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -67.94 -39.3 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -42.68 85.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 630' ' ' GLN . . . . . 0.428 ' CG ' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -67.63 -32.87 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.755 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.27 -41.24 81.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.2 -40.05 93.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.988 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 633' ' ' GLU . . . . . 0.762 ' HB3' HG21 ' C' ' 634' ' ' ILE . 14.0 mt-10 -64.92 -42.06 95.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.054 0.454 . . . . 0.0 111.859 -178.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 634' ' ' ILE . . . . . 0.773 HG21 ' HB3' ' A' ' 633' ' ' GLU . 97.9 mt -65.36 -42.13 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.9 91.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.448 -179.525 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.77 76.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.957 179.803 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 637' ' ' LEU . . . . . 0.599 HD12 HG23 ' C' ' 634' ' ' ILE . 0.2 OUTLIER -63.28 -44.57 94.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.753 179.596 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 638' ' ' LEU . . . . . 0.551 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 1.3 mt -61.74 -36.55 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -41.97 98.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 640' ' ' GLU . . . . . 0.455 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.5 tt0 -65.07 -45.09 86.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.555 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -59.97 -40.86 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.787 179.591 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.45 -38.59 90.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.468 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.88 -48.04 75.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.251 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 644' ' ' GLU . . . . . 0.75 ' HA ' HD12 ' B' ' 647' ' ' ILE . 4.3 tt0 -62.42 -35.52 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 645' ' ' LYS . . . . . 0.472 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 15.0 mmtt -59.61 -49.3 78.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -44.8 94.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 647' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.9 mt -64.18 -40.98 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.039 0.447 . . . . 0.0 111.189 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 648' ' ' ARG . . . . . 0.574 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.0 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.68 -35.8 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.855 HD11 HG21 ' C' ' 655' ' ' VAL . 11.7 tp -65.23 -38.67 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.745 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 652' ' ' GLN . . . . . 0.477 ' OE1' ' HB2' ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.7 -38.18 89.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.144 -179.818 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 653' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' B' ' 653' ' ' MET . 0.4 OUTLIER -59.86 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 111.282 -179.684 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.0 85.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.527 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 655' ' ' VAL . . . . . 0.851 HG21 HD11 ' A' ' 651' ' ' LEU . 82.0 t -62.66 -44.6 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.53 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.77 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.34 -45.7 83.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.674 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 658' ' ' ILE . . . . . 0.449 HG21 HG22 ' C' ' 658' ' ' ILE . 17.3 mt -65.54 -39.12 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.609 -179.631 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 659' ' ' LYS . . . . . 0.495 ' HG2' ' OE1' ' B' ' 663' ' ' GLN . 10.6 tttm -64.17 -44.24 92.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -48.44 81.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.87 76.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.525 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 663' ' ' GLN . . . . . 0.495 ' OE1' ' HG2' ' B' ' 659' ' ' LYS . 11.3 mt-30 -80.06 -33.32 39.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 605' ' ' SER . . . . . 0.633 ' O ' HG23 ' C' ' 609' ' ' VAL . 1.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.832 0.349 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -65.97 -44.15 85.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.48 81.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 608' ' ' ALA . . . . . 0.538 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -64.63 -33.9 77.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.438 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 609' ' ' VAL . . . . . 0.633 HG23 ' O ' ' C' ' 605' ' ' SER . 44.6 t -67.24 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.629 -179.55 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -38.37 82.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 111.782 179.637 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.424 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.648 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.76 -40.63 84.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.078 -179.759 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 613' ' ' ARG . . . . . 0.598 ' HG2' HD21 ' B' ' 612' ' ' LEU . 6.8 mtt180 -54.58 -46.73 73.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 7.0 t -70.33 -25.86 63.5 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.81 -47.1 64.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.208 -179.476 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.92 -39.79 86.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.73 -52.88 63.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.393 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 618' ' ' GLU . . . . . 0.435 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.9 tp10 -63.35 -33.53 75.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.009 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 619' ' ' LEU . . . . . 0.985 ' HA ' HD12 ' C' ' 622' ' ' ILE . 2.3 mt -61.45 -45.89 92.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -61.3 -37.33 82.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.22 -34.99 79.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.618 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 622' ' ' ILE . . . . . 0.985 HD12 ' HA ' ' C' ' 619' ' ' LEU . 26.4 mt -60.93 -47.85 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.664 -179.726 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 623' ' ' ILE . . . . . 0.669 HG12 HD13 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -63.94 -33.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.03 -44.33 84.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.288 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -42.46 74.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.939 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 626' ' ' MET . . . . . 0.46 ' SD ' HG22 ' A' ' 623' ' ' ILE . 14.9 mtt -62.64 -40.69 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.809 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 627' ' ' LYS . . . . . 0.447 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 1.4 tmtm? -67.5 -37.85 83.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.0 -39.18 83.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.022 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.73 85.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.784 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 630' ' ' GLN . . . . . 0.428 ' HB3' ' CG ' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -67.6 -32.9 73.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.746 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -68.2 -41.28 81.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.953 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.788 ' HB3' HG21 ' A' ' 634' ' ' ILE . 13.9 mt-10 -64.93 -42.08 94.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.097 0.475 . . . . 0.0 111.871 -178.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 634' ' ' ILE . . . . . 0.762 HG21 ' HB3' ' B' ' 633' ' ' GLU . 97.9 mt -65.37 -42.13 92.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.073 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.92 90.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.441 -179.527 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -36.84 76.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 637' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 634' ' ' ILE . 0.2 OUTLIER -63.19 -44.65 94.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.802 179.582 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 638' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 1.3 mt -61.67 -36.64 81.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.694 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.747 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 640' ' ' GLU . . . . . 0.454 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 31.4 tt0 -65.05 -45.08 86.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.069 0.461 . . . . 0.0 110.926 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 641' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -59.94 -40.83 90.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.805 179.529 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.47 -38.59 90.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.512 -179.382 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.87 -48.1 75.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.22 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 644' ' ' GLU . . . . . 0.732 ' HA ' HD12 ' C' ' 647' ' ' ILE . 4.4 tt0 -62.44 -35.47 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.789 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 645' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 15.0 mmtt -59.64 -49.3 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -44.86 94.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 647' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.9 mt -64.21 -40.88 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.034 0.445 . . . . 0.0 111.225 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 648' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.0 OUTLIER -62.5 -42.4 99.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.041 -179.867 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -40.44 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.79 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.711 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.809 HD11 HG21 ' A' ' 655' ' ' VAL . 11.7 tp -65.23 -38.71 91.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 652' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' B' ' 651' ' ' LEU . 0.4 OUTLIER -62.69 -38.14 89.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.231 -179.868 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 653' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' C' ' 653' ' ' MET . 0.4 OUTLIER -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.279 -179.779 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.01 85.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.561 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 655' ' ' VAL . . . . . 0.855 HG21 HD11 ' B' ' 651' ' ' LEU . 80.9 t -62.63 -44.55 99.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.558 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.88 -34.8 78.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.78 83.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 658' ' ' ILE . . . . . 0.452 HG21 HG22 ' A' ' 658' ' ' ILE . 17.2 mt -65.48 -39.09 84.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.678 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 659' ' ' LYS . . . . . 0.495 ' HG2' ' OE1' ' C' ' 663' ' ' GLN . 10.6 tttm -64.26 -44.18 92.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -48.56 80.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.92 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -28.43 65.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.593 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 663' ' ' GLN . . . . . 0.495 ' OE1' ' HG2' ' C' ' 659' ' ' LYS . 11.1 mt-30 -80.12 -33.25 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.57 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.062 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.88 151.08 26.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 0.0 110.696 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.701 ' HA ' ' HA ' ' B' ' 611' ' ' GLU . 1.6 ttt 57.76 39.82 26.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.604 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -113.42 140.51 48.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.701 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.522 ' HA2' ' HG3' ' A' ' 598' ' ' LYS . . . -164.84 -1.62 0.04 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.778 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 2.3 tttp -70.04 -45.29 22.29 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 596' ' ' LYS . 93.2 Cg_endo -86.94 5.21 5.89 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.554 2.169 . . . . 0.0 113.002 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.522 ' HG3' ' HA2' ' A' ' 595' ' ' GLY . 0.1 OUTLIER -143.45 112.08 6.45 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.069 0.462 . . . . 0.0 111.406 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.1 51.03 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.607 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 606' ' ' GLN . 6.5 mt-10 -145.41 148.07 36.0 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.984 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.802 ' HD3' ' HA ' ' B' ' 603' ' ' ALA . 67.3 Cg_endo -73.56 156.43 49.56 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.476 2.117 . . . . 0.0 112.407 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -136.07 168.76 18.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.445 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.789 ' HA ' ' HD3' ' C' ' 601' ' ' PRO . . . -67.31 158.17 32.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.67 31.83 3.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.585 ' HB2' ' HA ' ' C' ' 601' ' ' PRO . 0.5 OUTLIER -68.38 -38.39 81.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.858 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' C' ' 600' ' ' GLU . 12.0 pt20 -72.36 -37.59 68.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.479 ' HB1' ' HA3' ' C' ' 595' ' ' GLY . . . -67.66 -37.56 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.818 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.48 91.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.422 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 605' ' ' SER . 2.6 m -67.5 -39.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.16 -37.57 85.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 111.756 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' C' ' 593' ' ' MET . 2.5 mt-10 -72.68 -39.52 67.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' B' ' 613' ' ' ARG . 0.6 OUTLIER -67.84 -35.21 78.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.101 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.678 ' O ' ' HD2' ' A' ' 617' ' ' ARG . 2.9 mtt-85 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.025 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.43 -42.24 98.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.645 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -65.97 -37.37 85.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 619' ' ' LEU . 1.0 OUTLIER -61.23 -45.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.678 ' HD2' ' O ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.69 -39.97 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.336 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.8 tp10 -60.06 -34.45 73.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 622' ' ' ILE . 10.7 mt -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.99 -36.32 76.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.41 -36.08 76.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.758 HG22 HG21 ' B' ' 623' ' ' ILE . 54.2 mt -64.28 -43.02 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.623 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.726 HG21 HG22 ' C' ' 622' ' ' ILE . 16.4 mt -64.88 -41.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.33 71.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.238 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.2 m -62.21 -40.87 97.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.497 ' O ' ' HD3' ' A' ' 631' ' ' LYS . 39.0 tttp -65.0 -37.57 88.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -41.54 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.4 -46.82 84.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.575 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.0 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 -179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.662 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 0.3 OUTLIER -65.15 -37.89 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.79 -47.53 84.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.964 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.588 ' HB3' HG21 ' B' ' 634' ' ' ILE . 8.1 mm-40 -60.17 -37.27 79.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.052 0.453 . . . . 0.0 111.872 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' C' ' 633' ' ' GLU . 11.4 mt -63.9 -40.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.069 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.662 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 1.1 mpmm? -63.1 -42.98 99.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.26 90.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.16 -44.2 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' C' ' 637' ' ' LEU . 11.9 mt -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.29 -40.12 93.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.8 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.77 -42.57 95.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.985 0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.408 ' HG ' HD11 ' B' ' 641' ' ' LEU . 0.3 OUTLIER -64.57 -33.29 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.788 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 642' ' ' ASP . . . . . 0.589 ' O ' ' HD2' ' A' ' 646' ' ' LYS . 14.3 m-20 -65.66 -49.13 69.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.565 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 646' ' ' LYS . 3.3 mm-40 -63.36 -37.2 86.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.212 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -41.11 97.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 641' ' ' LEU . 4.2 mtpt -64.51 -34.18 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.589 ' HD2' ' O ' ' A' ' 642' ' ' ASP . 2.6 mttt -61.74 -41.65 97.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.401 ' HA ' ' HE ' ' A' ' 650' ' ' ARG . 9.8 mt -69.28 -42.13 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.151 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 2.1 ttp-105 -61.19 -42.67 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 21.8 mt -59.12 -41.01 87.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 20.3 mtm180 -66.09 -37.57 86.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.844 HD22 ' HG2' ' B' ' 652' ' ' GLN . 26.9 tp -66.76 -36.94 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.844 ' HG2' HD22 ' C' ' 651' ' ' LEU . 3.6 mt-30 -62.06 -40.56 96.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 15.9 mtt -66.45 -38.69 87.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.267 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.74 -41.74 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.95 -33.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 111.247 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 48.5 m-20 -59.86 -38.55 82.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.51 -41.48 79.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.768 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.459 ' CG1' ' HE3' ' B' ' 659' ' ' LYS . 93.7 mt -67.08 -36.55 77.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.64 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.451 ' HE3' ' CG1' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -65.94 -40.85 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.749 0.309 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 3.9 mtpt -55.77 -51.22 68.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.925 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.5 72.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.306 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.2 OUTLIER -66.17 -29.23 69.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.492 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.96 -22.18 23.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.42 146.97 48.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.494 ' HG2' ' OXT' ' A' ' 665' ' ' LYS . 8.4 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.647 -0.181 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.89 151.1 26.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.999 0.428 . . . . 0.0 110.621 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 593' ' ' MET . . . . . 0.685 ' HA ' ' HA ' ' C' ' 611' ' ' GLU . 1.6 ttt 57.77 39.79 26.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.57 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -113.35 140.51 47.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.783 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.51 ' HA2' ' HG3' ' B' ' 598' ' ' LYS . . . -164.83 -1.64 0.04 OUTLIER Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.782 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' B' ' 597' ' ' PRO . 2.3 tttp -70.12 -45.23 21.67 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.626 -0.138 . . . . 0.0 110.626 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' B' ' 596' ' ' LYS . 92.7 Cg_endo -86.95 5.28 5.86 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.56 2.173 . . . . 0.0 113.035 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.51 ' HG3' ' HA2' ' B' ' 595' ' ' GLY . 0.1 OUTLIER -143.5 112.1 6.44 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.065 0.46 . . . . 0.0 111.405 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.11 50.93 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.583 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' C' ' 606' ' ' GLN . 6.5 mt-10 -145.38 148.06 36.06 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.814 ' HD3' ' HA ' ' C' ' 603' ' ' ALA . 67.6 Cg_endo -73.5 156.43 49.85 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.444 2.096 . . . . 0.0 112.451 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -136.07 168.75 18.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.802 ' HA ' ' HD3' ' A' ' 601' ' ' PRO . . . -67.32 158.17 32.21 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.365 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.7 31.83 3.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.597 ' HB2' ' HA ' ' A' ' 601' ' ' PRO . 0.5 OUTLIER -68.4 -38.34 81.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.911 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 600' ' ' GLU . 12.1 pt20 -72.29 -37.75 68.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.502 ' HB1' ' HA3' ' A' ' 595' ' ' GLY . . . -67.65 -37.45 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.45 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 605' ' ' SER . 2.6 m -67.54 -39.9 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.21 -37.58 85.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.103 0.478 . . . . 0.0 111.725 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.701 ' HA ' ' HA ' ' A' ' 593' ' ' MET . 2.5 mt-10 -72.65 -39.51 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.94 -35.09 77.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.078 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.681 ' O ' ' HD2' ' B' ' 617' ' ' ARG . 2.9 mtt-85 -62.25 -41.09 98.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.8 m -61.49 -42.22 98.46 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.664 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.01 -37.35 85.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.156 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.661 ' HA ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -61.16 -45.65 98.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.681 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -67.72 -39.88 84.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.325 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.8 tp10 -60.13 -34.45 73.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' B' ' 616' ' ' VAL . 10.6 mt -65.98 -44.33 85.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.91 -36.25 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.0 p -69.43 -36.06 76.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.75 HG22 HG21 ' C' ' 623' ' ' ILE . 54.0 mt -64.4 -42.95 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.644 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.758 HG21 HG22 ' A' ' 622' ' ' ILE . 16.4 mt -64.91 -41.16 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -50.35 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.3 m -62.25 -40.76 97.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.6 90.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.492 ' O ' ' HD3' ' B' ' 631' ' ' LYS . 39.1 tttp -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -41.47 81.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.49 -46.77 84.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -65.04 -37.76 88.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.0 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.653 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 0.3 OUTLIER -65.18 -37.86 88.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.77 -47.51 84.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.958 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' C' ' 634' ' ' ILE . 8.1 mm-40 -60.11 -37.37 79.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.126 0.488 . . . . 0.0 111.888 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' A' ' 633' ' ' GLU . 11.4 mt -63.85 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.119 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.653 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -43.01 99.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.442 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -38.26 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' C' ' 637' ' ' LEU . 0.8 OUTLIER -64.13 -44.25 92.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.402 ' CD2' ' HG ' ' A' ' 637' ' ' LEU . 11.8 mt -65.55 -36.04 82.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.27 -40.11 93.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.801 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.73 -42.55 95.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.414 ' HG ' HD11 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -64.6 -33.3 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.751 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 642' ' ' ASP . . . . . 0.585 ' O ' ' HD2' ' B' ' 646' ' ' LYS . 14.3 m-20 -65.71 -49.19 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.463 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.524 ' HA ' ' HD2' ' B' ' 646' ' ' LYS . 3.3 mm-40 -63.28 -37.25 86.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.238 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -41.06 97.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' B' ' 641' ' ' LEU . 4.2 mtpt -64.55 -34.13 77.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.585 ' HD2' ' O ' ' B' ' 642' ' ' ASP . 2.6 mttt -61.67 -41.79 98.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.272 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.13 -42.19 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 111.219 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 2.2 ttp-105 -61.18 -42.71 99.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.97 -41.06 86.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 20.3 mtm180 -66.15 -37.55 85.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.843 HD22 ' HG2' ' C' ' 652' ' ' GLN . 26.7 tp -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.844 ' HG2' HD22 ' A' ' 651' ' ' LEU . 3.5 mt-30 -62.13 -40.58 96.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.157 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.41 -38.65 87.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 111.291 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.78 -41.67 98.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.99 -33.87 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 111.203 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 656' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 49.1 m-20 -59.81 -38.54 82.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.56 -41.38 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.449 ' CG1' ' HE3' ' C' ' 659' ' ' LYS . 93.4 mt -67.09 -36.6 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.676 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.459 ' HE3' ' CG1' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -65.89 -40.88 91.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.049 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 660' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 3.9 mtpt -55.79 -51.2 68.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.59 72.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 662' ' ' LEU . 0.2 OUTLIER -66.14 -29.23 69.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.491 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.94 -22.23 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.32 146.91 48.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.482 ' OXT' ' HG2' ' B' ' 665' ' ' LYS . 8.4 tttt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.88 151.09 26.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.64 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 593' ' ' MET . . . . . 0.698 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 1.6 ttt 57.8 39.79 26.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.618 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.37 140.4 48.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.737 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.505 ' HA2' ' HG3' ' C' ' 598' ' ' LYS . . . -164.76 -1.63 0.04 OUTLIER Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.736 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.508 ' N ' ' CD ' ' C' ' 597' ' ' PRO . 2.3 tttp -70.18 -45.11 21.19 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 110.591 -0.151 . . . . 0.0 110.591 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' C' ' 596' ' ' LYS . 92.4 Cg_endo -86.99 5.28 5.85 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.556 2.171 . . . . 0.0 113.022 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.505 ' HG3' ' HA2' ' C' ' 595' ' ' GLY . 0.1 OUTLIER -143.53 111.99 6.38 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.071 0.462 . . . . 0.0 111.462 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.01 50.95 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 606' ' ' GLN . 6.4 mt-10 -145.36 148.09 36.22 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.984 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.789 ' HD3' ' HA ' ' A' ' 603' ' ' ALA . 67.0 Cg_endo -73.57 156.4 49.54 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.502 2.135 . . . . 0.0 112.399 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -136.08 168.73 18.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.431 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.814 ' HA ' ' HD3' ' B' ' 601' ' ' PRO . . . -67.24 158.14 32.14 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.998 0.428 . . . . 0.0 111.337 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.66 31.87 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.6 ' HB2' ' HA ' ' B' ' 601' ' ' PRO . 0.5 OUTLIER -68.43 -38.36 81.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.896 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 600' ' ' GLU . 12.1 pt20 -72.29 -37.62 68.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.498 ' HB1' ' HA3' ' B' ' 595' ' ' GLY . . . -67.7 -37.48 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.55 91.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.463 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.498 HG22 ' O ' ' C' ' 605' ' ' SER . 2.6 m -67.44 -39.94 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.614 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.08 -37.69 85.98 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.182 0.515 . . . . 0.0 111.788 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.685 ' HA ' ' HA ' ' B' ' 593' ' ' MET . 2.5 mt-10 -72.6 -39.49 67.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.9 -35.17 78.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.084 -179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.684 ' O ' ' HD2' ' C' ' 617' ' ' ARG . 3.0 mtt-85 -62.12 -41.13 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.51 -42.24 98.51 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.633 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -65.92 -37.46 86.12 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 111.131 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' C' ' 619' ' ' LEU . 1.0 OUTLIER -61.12 -45.59 98.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.684 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.73 -39.94 84.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.334 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.437 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.8 tp10 -59.98 -34.51 73.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.7 mt -66.05 -44.26 85.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 620' ' ' ARG . 6.1 ttm105 -59.9 -36.3 76.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.42 -36.07 76.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.726 HG22 HG21 ' A' ' 623' ' ' ILE . 53.8 mt -64.37 -42.99 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.585 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.75 HG21 HG22 ' B' ' 622' ' ' ILE . 16.6 mt -64.89 -41.17 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.204 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -50.35 71.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.244 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.2 m -62.24 -40.82 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.017 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.56 89.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.491 ' O ' ' HD3' ' C' ' 631' ' ' LYS . 39.0 tttp -64.97 -37.46 87.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -41.46 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.51 -46.78 84.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.575 ' HG2' ' HB3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.95 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.666 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 0.3 OUTLIER -65.1 -37.96 89.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.76 -47.45 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.013 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.583 ' HB3' HG21 ' A' ' 634' ' ' ILE . 8.1 mm-40 -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.074 0.464 . . . . 0.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.595 HG21 ' HB3' ' B' ' 633' ' ' GLU . 11.4 mt -63.8 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.09 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.666 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -42.94 99.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.479 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.2 90.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.946 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.2 -44.24 92.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.401 ' CD2' ' HG ' ' B' ' 637' ' ' LEU . 11.8 mt -65.55 -36.1 82.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.22 -40.08 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.81 -42.61 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.006 0.432 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -64.51 -33.31 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.777 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 642' ' ' ASP . . . . . 0.595 ' O ' ' HD2' ' C' ' 646' ' ' LYS . 14.3 m-20 -65.7 -49.13 69.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.543 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.511 ' HA ' ' HD2' ' C' ' 646' ' ' LYS . 3.3 mm-40 -63.31 -37.26 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.216 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.07 97.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' C' ' 641' ' ' LEU . 4.2 mtpt -64.6 -34.14 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.595 ' HD2' ' O ' ' C' ' 642' ' ' ASP . 2.6 mttt -61.77 -41.64 97.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.403 ' HA ' ' HE ' ' C' ' 650' ' ' ARG . 9.5 mt -69.16 -42.15 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.089 0.471 . . . . 0.0 111.209 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 2.2 ttp-105 -61.28 -42.63 98.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.08 -41.03 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.743 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 20.3 mtm180 -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.737 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.844 HD22 ' HG2' ' A' ' 652' ' ' GLN . 26.6 tp -66.75 -36.92 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.799 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.843 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.5 mt-30 -62.17 -40.43 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.184 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.55 -38.61 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.272 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.72 -41.71 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.0 -33.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.955 0.407 . . . . 0.0 111.175 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -59.88 -38.45 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.58 -41.46 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.451 ' CG1' ' HE3' ' A' ' 659' ' ' LYS . 93.6 mt -66.99 -36.67 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.604 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -65.85 -40.85 92.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 111.072 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -55.84 -51.25 68.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.362 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' C' ' 662' ' ' LEU . 0.2 OUTLIER -66.13 -29.21 69.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -89.05 -22.13 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.41 146.97 48.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.487 ' HG2' ' OXT' ' C' ' 665' ' ' LYS . 8.3 tttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.797 ' N ' ' HB2' ' C' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 51.5 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.24 134.14 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.612 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.48 136.79 44.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.718 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.497 ' O ' ' HD3' ' A' ' 597' ' ' PRO . . . 95.67 -26.31 20.77 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.745 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 98.68 8.96 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 595' ' ' GLY . 92.4 Cg_endo -85.96 161.85 10.32 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.618 2.212 . . . . 0.0 112.94 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' C' ' 604' ' ' SER . 0.0 OUTLIER -151.88 126.33 9.41 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.068 0.461 . . . . 0.0 111.447 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.89 107.04 9.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.579 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 1.9 mp0 -132.65 -68.61 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.8 Cg_endo -75.15 145.32 30.79 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.42 2.08 . . . . 0.0 112.417 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -108.73 117.47 34.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.362 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -153.57 174.87 13.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.36 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' B' ' 598' ' ' LYS . 3.8 m -55.94 -48.62 75.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 609' ' ' VAL . 30.1 t -59.57 -41.82 91.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 1.4 mm-40 -66.11 -35.67 81.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.806 ' HB2' ' N ' ' B' ' 591' ' ' GLY . . . -61.86 -40.04 93.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.73 99.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 609' ' ' VAL . 0.5 OUTLIER -62.29 -32.19 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.551 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.74 -39.76 66.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.158 0.504 . . . . 0.0 111.8 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.488 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.0 OUTLIER -62.28 -44.74 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.47 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' B' ' 613' ' ' ARG . 0.8 OUTLIER -63.14 -40.33 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.972 ' HA ' HD21 ' C' ' 612' ' ' LEU . 3.3 ttm105 -60.47 -41.32 93.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -44.53 96.79 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.668 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -70.0 -41.27 74.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.72 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -45.09 94.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.452 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.3 tm-20 -68.51 -33.01 73.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.845 HD21 ' HG3' ' B' ' 620' ' ' ARG . 2.4 mt -66.41 -36.23 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.87 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.5 OUTLIER -63.36 -44.15 95.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.32 -33.43 75.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 626' ' ' MET . 71.3 mt -66.39 -44.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.665 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 620' ' ' ARG . 5.4 mt -62.58 -42.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.216 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -49.25 77.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.29 -35.28 76.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.992 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.606 ' SD ' HG22 ' A' ' 622' ' ' ILE . 4.1 mtt -66.96 -37.18 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.569 ' HG3' ' HG2' ' C' ' 626' ' ' MET . 1.0 OUTLIER -68.81 -30.52 69.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.067 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -51.59 22.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.041 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -61.98 -36.5 81.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.619 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.83 -45.46 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.51 ' HE2' ' OE2' ' C' ' 633' ' ' GLU . 0.1 OUTLIER -67.45 -36.25 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 632' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -64.24 -47.45 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.985 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.578 ' HB3' HG21 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -59.91 -44.15 94.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 111.898 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.597 HG21 ' HB3' ' C' ' 633' ' ' GLU . 87.4 mt -63.13 -41.52 93.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.448 ' HA ' ' CE ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -60.28 -43.48 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.383 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.91 -39.91 87.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.716 HD11 HD12 ' B' ' 638' ' ' LEU . 2.5 mt -62.8 -35.27 79.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.699 HD12 HD11 ' C' ' 637' ' ' LEU . 0.3 OUTLIER -65.5 -46.42 79.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -39.12 91.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.756 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -43.31 98.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.007 0.432 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.619 HD22 ' HE2' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.809 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.27 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.476 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.583 ' HG2' HD11 ' A' ' 647' ' ' ILE . 53.9 tt0 -65.35 -42.59 92.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.4 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.619 ' HE2' HD22 ' A' ' 641' ' ' LEU . 43.4 mttm -61.22 -44.39 97.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.583 HD11 ' HG2' ' A' ' 643' ' ' GLU . 7.7 mt -66.81 -41.93 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 111.279 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 648' ' ' ARG . 0.9 OUTLIER -66.53 -36.52 82.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.017 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.55 -43.86 96.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.18 -33.35 75.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.68 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -62.32 -46.59 88.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.94 79.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.19 -43.13 96.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.332 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.64 -45.0 95.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.561 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.2 t -61.2 -35.08 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' ASN . . . . . 0.429 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 2.4 t30 -65.14 -41.62 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.12 -49.72 73.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.733 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.612 HG13 HD13 ' B' ' 662' ' ' LEU . 4.9 tt -64.16 -38.94 83.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -63.23 -37.78 88.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.096 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 0.3 OUTLIER -64.08 -35.64 81.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 665' ' ' LYS . . . -75.99 -43.37 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.609 HD13 HG13 ' C' ' 658' ' ' ILE . 0.7 OUTLIER -62.18 -35.92 80.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.51 -27.98 41.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -54.22 19.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 661' ' ' ALA . 35.8 pttt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.806 ' N ' ' HB2' ' A' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.71 51.56 1.73 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.89 0.376 . . . . 0.0 110.622 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.2 134.2 46.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.558 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.55 136.77 44.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 95.7 -26.25 21.09 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.734 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.09 98.75 9.23 Favored Pre-proline 0 CA--C 1.531 0.25 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' B' ' 595' ' ' GLY . 93.5 Cg_endo -86.0 161.86 10.26 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.573 2.182 . . . . 0.0 112.954 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 604' ' ' SER . 0.0 OUTLIER -151.85 126.33 9.43 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.042 0.448 . . . . 0.0 111.426 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.89 107.04 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.52 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 1.9 mp0 -132.67 -68.52 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.948 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.8 Cg_endo -75.17 145.3 30.71 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.427 2.084 . . . . 0.0 112.396 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -108.65 117.44 34.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.361 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -153.52 174.9 13.82 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.329 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' C' ' 598' ' ' LYS . 3.9 m -56.04 -48.51 75.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 609' ' ' VAL . 30.1 t -59.64 -41.72 91.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.927 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 1.4 mm-40 -66.23 -35.63 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.792 ' HB2' ' N ' ' C' ' 591' ' ' GLY . . . -61.83 -40.09 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.7 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 605' ' ' SER . 0.5 OUTLIER -62.31 -32.14 53.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.71 -39.85 66.64 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.2 0.524 . . . . 0.0 111.775 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.488 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.0 OUTLIER -62.25 -44.72 95.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.485 179.42 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.965 HD21 ' HA ' ' C' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.36 97.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.967 ' HA ' HD21 ' A' ' 612' ' ' LEU . 3.3 ttm105 -60.35 -41.3 93.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -44.64 96.56 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.6 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.92 -41.28 74.84 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.997 0.427 . . . . 0.0 111.157 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.71 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -45.04 95.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.292 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.452 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.3 tm-20 -68.7 -32.88 73.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' C' ' 620' ' ' ARG . 2.4 mt -66.4 -36.3 82.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.845 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.5 OUTLIER -63.4 -44.13 95.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.2 p -65.28 -33.44 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.603 HG22 ' SD ' ' B' ' 626' ' ' MET . 71.2 mt -66.22 -45.11 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 111.617 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' B' ' 620' ' ' ARG . 5.3 mt -62.47 -42.66 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.231 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -49.18 77.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.3 -35.29 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.603 ' SD ' HG22 ' B' ' 622' ' ' ILE . 4.1 mtt -67.04 -37.05 83.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.568 ' HG3' ' HG2' ' A' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.49 69.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -51.6 22.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -62.09 -36.4 81.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.84 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.619 ' HG2' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -66.91 -45.44 77.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.515 ' HE2' ' OE2' ' A' ' 633' ' ' GLU . 0.1 OUTLIER -67.47 -36.26 80.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -47.46 79.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.586 ' HB3' HG21 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -59.87 -44.28 94.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 0.0 111.879 -178.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 633' ' ' GLU . 86.9 mt -63.05 -41.55 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.124 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -60.25 -43.46 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.441 -179.52 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -40.0 87.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.943 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.705 HD11 HD12 ' C' ' 638' ' ' LEU . 2.5 mt -62.8 -35.22 79.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 637' ' ' LEU . 0.3 OUTLIER -65.44 -46.52 79.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.19 91.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.776 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.3 98.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.624 HD22 ' HE2' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -66.71 -34.33 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.736 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.5 -42.24 98.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.52 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.585 ' HG2' HD11 ' B' ' 647' ' ' ILE . 53.8 tt0 -65.35 -42.65 92.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -42.34 92.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.624 ' HE2' HD22 ' B' ' 641' ' ' LEU . 43.4 mttm -61.15 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -43.53 98.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.585 HD11 ' HG2' ' B' ' 643' ' ' GLU . 7.8 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 111.196 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -36.4 82.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.96 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -64.13 -33.32 75.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.679 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.643 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -62.4 -46.65 87.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.653 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -38.04 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.195 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.24 -43.07 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.6 -45.09 95.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.594 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.1 t -61.11 -35.09 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.264 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 656' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 2.4 t30 -65.1 -41.66 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.14 -49.65 73.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.761 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.625 HG13 HD13 ' C' ' 662' ' ' LEU . 4.9 tt -64.25 -38.88 83.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.634 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -63.31 -37.72 88.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.81 0.338 . . . . 0.0 111.046 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 660' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 0.3 OUTLIER -64.04 -35.71 81.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.71 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 665' ' ' LYS . . . -76.01 -43.34 44.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 658' ' ' ILE . 0.7 OUTLIER -62.22 -35.84 80.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.532 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.58 -28.0 41.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -54.25 19.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 661' ' ' ALA . 35.8 pttt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.792 ' N ' ' HB2' ' B' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 51.51 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.64 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.24 134.17 46.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.582 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.57 136.79 44.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.7 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.496 ' O ' ' HD3' ' C' ' 597' ' ' PRO . . . 95.69 -26.28 20.93 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.731 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.03 98.63 8.94 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' C' ' 595' ' ' GLY . 92.8 Cg_endo -85.9 161.78 10.41 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.642 2.228 . . . . 0.0 113.038 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.538 ' HB3' ' HA ' ' B' ' 604' ' ' SER . 0.0 OUTLIER -151.81 126.38 9.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.99 0.424 . . . . 0.0 111.447 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.89 106.98 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.529 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 1.9 mp0 -132.58 -68.58 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.006 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.9 Cg_endo -75.15 145.33 30.81 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.417 2.078 . . . . 0.0 112.414 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -108.71 117.41 34.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.372 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -153.53 174.97 13.74 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.361 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' A' ' 598' ' ' LYS . 3.9 m -56.03 -48.56 75.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' C' ' 609' ' ' VAL . 30.2 t -59.66 -41.81 91.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.871 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 1.4 mm-40 -66.06 -35.71 81.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.797 ' HB2' ' N ' ' A' ' 591' ' ' GLY . . . -61.8 -40.12 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.84 99.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.451 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.436 HG23 ' H ' ' C' ' 609' ' ' VAL . 0.5 OUTLIER -62.23 -32.13 53.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.647 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.72 -39.79 66.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 111.837 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.485 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.0 OUTLIER -62.24 -44.74 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.451 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.972 HD21 ' HA ' ' A' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.38 97.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.09 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.965 ' HA ' HD21 ' B' ' 612' ' ' LEU . 3.3 ttm105 -60.41 -41.34 93.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.55 96.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.583 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.97 -41.29 74.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.165 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.76 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.09 94.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.289 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.436 ' O ' HG13 ' C' ' 622' ' ' ILE . 1.3 tm-20 -68.49 -33.02 73.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.87 HD21 ' HG3' ' A' ' 620' ' ' ARG . 2.4 mt -66.4 -36.23 82.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.019 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.879 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.5 OUTLIER -63.46 -44.08 95.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.26 -33.43 75.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.611 HG22 ' SD ' ' C' ' 626' ' ' MET . 71.0 mt -66.36 -45.02 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.031 0.443 . . . . 0.0 111.618 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' C' ' 620' ' ' ARG . 5.3 mt -62.4 -42.76 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -49.2 77.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.258 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 20.6 m -61.28 -35.29 76.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.978 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.611 ' SD ' HG22 ' C' ' 622' ' ' ILE . 4.1 mtt -66.99 -37.09 83.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.559 ' HG3' ' HG2' ' B' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.48 69.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -51.54 23.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -62.06 -36.47 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.796 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.618 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.93 -45.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.516 ' HE2' ' OE2' ' B' ' 633' ' ' GLU . 0.1 OUTLIER -67.48 -36.28 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.4 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.023 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -59.89 -44.28 94.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 111.853 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' B' ' 633' ' ' GLU . 87.1 mt -63.04 -41.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.136 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -60.2 -43.49 95.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.476 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -39.99 87.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.005 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.699 HD11 HD12 ' A' ' 638' ' ' LEU . 2.5 mt -62.75 -35.21 79.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.753 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.705 HD12 HD11 ' B' ' 637' ' ' LEU . 0.3 OUTLIER -65.54 -46.52 79.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.07 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -43.35 97.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.602 HD22 ' HE2' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -66.51 -34.41 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' C' ' 647' ' ' ILE . 53.9 tt0 -65.25 -42.7 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.26 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -42.45 92.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.602 ' HE2' HD22 ' C' ' 641' ' ' LEU . 43.5 mttm -61.15 -44.45 97.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.29 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' C' ' 643' ' ' GLU . 7.7 mt -66.86 -42.0 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.059 0.457 . . . . 0.0 111.208 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 648' ' ' ARG . 0.9 OUTLIER -66.52 -36.45 82.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.065 -179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.92 96.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.13 -33.3 75.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.646 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -62.39 -46.63 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.689 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.93 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.16 -43.15 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 111.33 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.63 -45.04 95.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.646 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.1 t -61.18 -35.02 62.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.027 0.442 . . . . 0.0 111.25 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 656' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' C' ' 660' ' ' LYS . 2.4 t30 -65.11 -41.71 94.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.19 -49.62 73.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.734 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.609 HG13 HD13 ' A' ' 662' ' ' LEU . 5.0 tt -64.21 -38.88 83.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.695 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -63.32 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 660' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' C' ' 656' ' ' ASN . 0.3 OUTLIER -64.1 -35.58 81.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 661' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -75.99 -43.42 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.625 HD13 HG13 ' B' ' 658' ' ' ILE . 0.7 OUTLIER -62.23 -35.82 80.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.548 179.593 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.54 -28.03 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -54.19 19.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 35.7 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.06 149.28 27.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.618 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.472 ' HG2' ' OE1' ' B' ' 611' ' ' GLU . 0.0 OUTLIER 54.72 44.38 28.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.603 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -106.81 144.19 33.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.678 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -147.87 -25.65 0.08 OUTLIER Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.707 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.2 OUTLIER -65.08 -48.61 70.16 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.57 -0.159 . . . . 0.0 110.57 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 596' ' ' LYS . 92.7 Cg_endo -83.3 -7.39 10.92 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.614 2.209 . . . . 0.0 113.001 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.97 84.72 2.14 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.05 0.453 . . . . 0.0 111.432 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.76 5.76 36.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.559 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -110.13 147.9 37.22 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.987 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.413 ' HA ' ' H ' ' B' ' 605' ' ' SER . 67.3 Cg_endo -72.55 145.46 42.16 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.382 2.055 . . . . 0.0 112.42 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ALA . . . . . 0.422 ' HB2' ' NE2' ' B' ' 606' ' ' GLN . . . -111.55 158.92 18.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.391 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -70.88 153.71 42.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.291 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.93 37.64 0.38 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.752 ' O ' HG22 ' A' ' 609' ' ' VAL . 0.4 OUTLIER -66.66 -38.78 87.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.851 -179.771 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 8.4 pt20 -64.45 -34.31 77.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.23 64.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.58 89.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.434 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 605' ' ' SER . 4.7 m -66.36 -41.73 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 5.8 tt0 -61.52 -38.39 87.2 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.763 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.558 ' HB2' HH22 ' B' ' 613' ' ' ARG . 10.2 mm-40 -67.66 -35.54 79.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.0 mt -70.23 -42.01 72.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.57 HH22 ' HB2' ' C' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.77 73.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.992 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 8.8 m -57.77 -44.13 85.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.448 ' HB3' HG11 ' B' ' 616' ' ' VAL . 34.5 mt-30 -63.05 -35.84 81.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.149 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.709 HG13 HD11 ' C' ' 619' ' ' LEU . 91.2 t -60.37 -45.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -37.66 88.25 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.605 ' O ' HG13 ' A' ' 622' ' ' ILE . 14.8 tp10 -65.35 -35.58 81.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.716 HD11 HG13 ' B' ' 616' ' ' VAL . 33.5 mt -66.19 -42.03 89.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 620' ' ' ARG . 3.5 ttm180 -62.17 -40.16 95.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.44 78.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.658 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.635 HG22 HG21 ' B' ' 623' ' ' ILE . 73.2 mt -61.45 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.664 HG21 HG22 ' C' ' 622' ' ' ILE . 4.9 mt -63.75 -41.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.198 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.56 98.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 47.0 m -66.14 -36.21 82.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -44.23 97.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.684 ' HG3' HE22 ' C' ' 630' ' ' GLN . 30.9 tttp -65.71 -39.95 91.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.87 -43.99 97.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.027 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.68 71.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.723 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.6 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -60.23 -40.79 91.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -37.52 82.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -45.39 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.967 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.547 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mt-10 -64.16 -46.3 84.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.457 . . . . 0.0 111.894 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.54 HG21 ' HB3' ' C' ' 633' ' ' GLU . 61.1 mt -57.39 -37.21 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.047 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.53 -40.7 93.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.455 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -38.77 89.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.421 HD12 HG23 ' B' ' 634' ' ' ILE . 3.5 mt -64.57 -42.86 95.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 635' ' ' LYS . 9.8 mt -61.91 -39.49 92.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -39.9 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.455 ' HG2' HD22 ' B' ' 641' ' ' LEU . 28.2 tt0 -66.63 -38.51 87.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.458 HD22 ' HG2' ' C' ' 640' ' ' GLU . 0.2 OUTLIER -65.99 -35.89 81.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.794 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 642' ' ' ASP . . . . . 0.582 ' HA ' ' HD3' ' A' ' 645' ' ' LYS . 0.5 OUTLIER -63.55 -39.87 95.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.512 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 646' ' ' LYS . 20.0 mm-40 -65.08 -42.44 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.251 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.567 ' HA ' HD12 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.16 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 642' ' ' ASP . 10.2 mtpt -65.62 -37.75 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mttt -63.08 -41.38 99.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 644' ' ' GLU . 4.9 mt -68.22 -43.78 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.084 0.468 . . . . 0.0 111.205 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -64.98 -33.74 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -44.83 85.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.26 -37.04 85.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 655' ' ' VAL . 27.9 tp -61.97 -40.2 94.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.671 ' HG2' HD22 ' C' ' 651' ' ' LEU . 0.3 OUTLIER -59.08 -43.81 91.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.172 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.289 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.414 ' HG2' ' HE3' ' B' ' 659' ' ' LYS . 6.2 mt-10 -66.32 -40.99 90.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 651' ' ' LEU . 12.4 t -65.73 -45.83 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 111.224 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' ASN . . . . . 0.533 ' O ' ' HG3' ' A' ' 660' ' ' LYS . 97.9 m-20 -55.35 -34.37 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -49.24 71.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.721 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.483 ' H ' HG13 ' A' ' 658' ' ' ILE . 5.2 mt -64.74 -36.42 77.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.597 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.423 ' HE3' ' HG2' ' C' ' 654' ' ' GLU . 4.3 ttmm -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 656' ' ' ASN . 43.3 mtpt -60.85 -43.41 98.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.83 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.374 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.509 ' CD2' HD21 ' B' ' 662' ' ' LEU . 2.5 mm? -64.29 -38.2 90.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.07 -10.42 56.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p -79.45 153.41 29.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.101 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.05 149.24 27.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.353 . . . . 0.0 110.688 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 593' ' ' MET . . . . . 0.475 ' HG2' ' OE1' ' C' ' 611' ' ' GLU . 0.0 OUTLIER 54.74 44.32 28.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.601 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -106.72 144.18 33.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.687 0.279 . . . . 0.0 110.692 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . -147.89 -25.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.785 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' B' ' 597' ' ' PRO . 0.2 OUTLIER -65.09 -48.6 70.12 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.639 -0.134 . . . . 0.0 110.639 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' B' ' 596' ' ' LYS . 92.8 Cg_endo -83.35 -7.3 10.89 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.597 2.198 . . . . 0.0 112.989 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.0 84.66 2.13 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.1 0.476 . . . . 0.0 111.425 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.7 5.74 36.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -110.17 147.94 37.32 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.966 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.41 ' HA ' ' H ' ' C' ' 605' ' ' SER . 67.6 Cg_endo -72.54 145.52 42.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.405 2.07 . . . . 0.0 112.398 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 602' ' ' ALA . . . . . 0.426 ' HB2' ' NE2' ' C' ' 606' ' ' GLN . . . -111.6 158.91 18.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.376 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -70.84 153.66 42.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.95 37.67 0.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.749 ' O ' HG22 ' B' ' 609' ' ' VAL . 0.4 OUTLIER -66.66 -38.68 87.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.89 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 8.4 pt20 -64.66 -34.22 77.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.97 -43.97 64.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.815 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.749 HG22 ' O ' ' B' ' 605' ' ' SER . 4.7 m -66.36 -41.8 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 5.8 tt0 -61.45 -38.4 87.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.104 0.478 . . . . 0.0 111.783 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.55 ' HB2' HH22 ' C' ' 613' ' ' ARG . 10.2 mm-40 -67.67 -35.49 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.399 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.549 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.0 mt -70.36 -41.96 72.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.834 0.35 . . . . 0.0 111.075 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.558 HH22 ' HB2' ' A' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.73 73.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.7 m -57.74 -44.1 85.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.587 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.463 ' HB3' HG11 ' C' ' 616' ' ' VAL . 34.5 mt-30 -63.12 -35.78 81.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.184 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.716 HG13 HD11 ' A' ' 619' ' ' LEU . 91.6 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -37.71 88.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.607 ' O ' HG13 ' B' ' 622' ' ' ILE . 14.8 tp10 -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.71 HD11 HG13 ' C' ' 616' ' ' VAL . 33.4 mt -66.14 -42.14 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 620' ' ' ARG . 3.6 ttm180 -62.08 -40.12 94.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.71 -36.47 78.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.653 HG22 HG21 ' C' ' 623' ' ' ILE . 72.9 mt -61.44 -48.49 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.635 HG21 HG22 ' A' ' 622' ' ' ILE . 4.9 mt -63.8 -41.77 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -43.59 98.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.275 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 46.8 m -66.15 -36.12 82.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.006 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -44.21 97.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.93 -39.87 90.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.044 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.88 -43.98 97.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -44.67 71.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.605 ' HG2' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -60.15 -40.76 90.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.029 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.54 82.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.28 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.986 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.535 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mt-10 -64.24 -46.26 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.087 0.47 . . . . 0.0 111.893 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' A' ' 633' ' ' GLU . 60.4 mt -57.31 -37.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.5 -40.75 93.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.42 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.84 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.435 HD12 HG23 ' C' ' 634' ' ' ILE . 3.5 mt -64.49 -42.91 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -61.87 -39.48 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -39.89 86.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.823 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.474 ' HG2' HD22 ' C' ' 641' ' ' LEU . 28.2 tt0 -66.66 -38.5 86.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.999 0.428 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.455 HD22 ' HG2' ' A' ' 640' ' ' GLU . 0.2 OUTLIER -65.92 -35.91 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.861 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 642' ' ' ASP . . . . . 0.581 ' HA ' ' HD3' ' B' ' 645' ' ' LYS . 0.5 OUTLIER -63.48 -39.94 95.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.506 -179.456 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.14 -42.43 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.554 ' HA ' HD12 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.15 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.83 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' B' ' 642' ' ' ASP . 10.2 mtpt -65.64 -37.78 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.726 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -62.99 -41.5 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 644' ' ' GLU . 5.0 mt -68.17 -43.78 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 111.234 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -65.01 -33.68 76.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.077 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -44.79 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.24 -37.06 86.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.721 ' O ' HG23 ' B' ' 655' ' ' VAL . 27.9 tp -62.0 -40.16 94.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.667 ' HG2' HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -59.12 -43.84 91.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.084 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -36.13 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.276 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.43 ' HG2' ' HE3' ' C' ' 659' ' ' LYS . 6.3 mt-10 -66.22 -40.98 90.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 651' ' ' LEU . 12.8 t -65.91 -45.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 656' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' B' ' 660' ' ' LYS . 97.9 m-20 -55.26 -34.45 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -49.27 71.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 658' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.69 -36.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.688 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.414 ' HE3' ' HG2' ' A' ' 654' ' ' GLU . 4.3 ttmm -67.08 -36.56 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.795 0.331 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 660' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 656' ' ' ASN . 43.4 mtpt -60.8 -43.41 98.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.86 84.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.31 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.514 ' CD2' HD21 ' C' ' 662' ' ' LEU . 2.5 mm? -64.32 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -10.43 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.4 p -79.34 153.35 29.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.024 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.05 149.25 27.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 0.0 110.684 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 593' ' ' MET . . . . . 0.475 ' HG2' ' OE1' ' A' ' 611' ' ' GLU . 0.0 OUTLIER 54.72 44.42 28.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.553 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -106.76 144.18 33.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.678 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . -147.9 -25.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.771 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.45 ' N ' ' CD ' ' C' ' 597' ' ' PRO . 0.2 OUTLIER -65.09 -48.67 69.87 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' C' ' 596' ' ' LYS . 92.9 Cg_endo -83.28 -7.36 10.94 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.593 2.195 . . . . 0.0 113.037 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.93 84.7 2.14 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.129 0.49 . . . . 0.0 111.499 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.74 5.74 36.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.511 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -110.14 147.98 37.38 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.432 ' HA ' ' H ' ' A' ' 605' ' ' SER . 67.0 Cg_endo -72.65 145.44 41.64 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.43 2.087 . . . . 0.0 112.429 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 602' ' ' ALA . . . . . 0.413 ' HB2' ' NE2' ' A' ' 606' ' ' GLN . . . -111.51 158.95 18.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.388 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -70.95 153.74 42.41 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.31 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.86 37.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.745 ' O ' HG22 ' C' ' 609' ' ' VAL . 0.4 OUTLIER -66.63 -38.78 87.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.917 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 8.4 pt20 -64.52 -34.35 78.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.04 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.54 89.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.418 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.745 HG22 ' O ' ' C' ' 605' ' ' SER . 4.7 m -66.33 -41.75 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 5.9 tt0 -61.58 -38.36 87.25 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.199 0.523 . . . . 0.0 111.751 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.57 ' HB2' HH22 ' A' ' 613' ' ' ARG . 10.2 mm-40 -67.63 -35.53 79.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.0 mt -70.26 -41.97 72.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.125 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.55 HH22 ' HB2' ' B' ' 611' ' ' GLU . 6.4 mtt-85 -54.63 -44.83 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 8.6 m -57.64 -44.06 85.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.702 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.461 ' HB3' HG11 ' A' ' 616' ' ' VAL . 34.5 mt-30 -63.2 -35.79 81.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 111.116 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.71 HG13 HD11 ' B' ' 619' ' ' LEU . 89.7 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -37.62 88.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.385 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.598 ' O ' HG13 ' C' ' 622' ' ' ILE . 14.8 tp10 -65.43 -35.52 81.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.709 HD11 HG13 ' A' ' 616' ' ' VAL . 33.2 mt -66.17 -42.06 89.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' C' ' 620' ' ' ARG . 3.6 ttm180 -62.19 -40.12 95.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.5 78.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.664 HG22 HG21 ' A' ' 623' ' ' ILE . 73.2 mt -61.42 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.637 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.653 HG21 HG22 ' B' ' 622' ' ' ILE . 4.8 mt -63.66 -41.88 94.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.23 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -43.66 98.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.3 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 46.5 m -66.06 -36.22 82.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -44.2 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.84 -39.82 91.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.9 -43.99 97.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -44.66 71.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.739 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.684 HE22 ' HG3' ' A' ' 627' ' ' LYS . 0.0 OUTLIER -60.16 -40.84 91.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -37.46 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -45.34 94.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.88 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.2 mt-10 -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.894 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' B' ' 633' ' ' GLU . 60.7 mt -57.34 -37.27 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.118 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.487 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.43 -40.76 93.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.454 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -38.8 89.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.942 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 634' ' ' ILE . 3.5 mt -64.54 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.79 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -61.89 -39.48 92.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -39.87 86.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.458 ' HG2' HD22 ' A' ' 641' ' ' LEU . 28.2 tt0 -66.65 -38.48 86.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.474 HD22 ' HG2' ' B' ' 640' ' ' GLU . 0.2 OUTLIER -65.98 -35.88 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.808 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 642' ' ' ASP . . . . . 0.594 ' HA ' ' HD3' ' C' ' 645' ' ' LYS . 0.5 OUTLIER -63.58 -39.84 95.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.49 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.416 ' HA ' ' HE3' ' C' ' 646' ' ' LYS . 20.0 mm-40 -65.12 -42.46 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.253 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -61.72 -38.15 86.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.869 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.594 ' HD3' ' HA ' ' C' ' 642' ' ' ASP . 10.2 mtpt -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' C' ' 643' ' ' GLU . 19.5 mttt -63.14 -41.3 99.26 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' C' ' 644' ' ' GLU . 5.0 mt -68.29 -43.76 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -65.04 -33.73 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -44.85 85.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 82.1 mtm-85 -65.25 -36.92 85.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.71 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.743 ' O ' HG23 ' C' ' 655' ' ' VAL . 28.0 tp -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.662 ' HG2' HD22 ' B' ' 651' ' ' LEU . 0.3 OUTLIER -59.11 -43.86 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -36.18 83.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.423 ' HG2' ' HE3' ' A' ' 659' ' ' LYS . 6.2 mt-10 -66.34 -40.97 90.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.469 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.743 HG23 ' O ' ' C' ' 651' ' ' LEU . 12.8 t -65.86 -45.76 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.218 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 656' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' C' ' 660' ' ' LYS . 97.9 m-20 -55.34 -34.37 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -49.29 71.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 658' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.73 -36.32 77.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.717 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.43 ' HE3' ' HG2' ' B' ' 654' ' ' GLU . 4.3 ttmm -67.12 -36.52 82.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 660' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' C' ' 656' ' ' ASN . 43.3 mtpt -60.84 -43.46 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.92 84.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.406 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.514 HD21 ' CD2' ' B' ' 662' ' ' LEU . 2.5 mm? -64.2 -38.27 90.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.04 -10.44 56.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p -79.35 153.39 29.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.062 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.735 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.5 48.43 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 10.2 ttp -131.54 129.71 41.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.582 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.481 ' HG2' ' OE1' ' C' ' 610' ' ' GLU . 3.4 mm-40 -76.43 131.38 39.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.76 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.479 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 111.39 -26.49 11.96 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.755 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 107.96 60.71 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.491 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.5 Cg_endo -85.94 159.22 10.24 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.609 2.206 . . . . 0.0 113.072 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.7 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -151.75 121.54 7.02 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.106 0.479 . . . . 0.0 111.453 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 22.8 mtm -136.97 104.44 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.625 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.779 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.2 OUTLIER -127.19 -57.5 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.976 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.779 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.5 Cg_endo -75.68 153.25 38.47 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.434 2.089 . . . . 0.0 112.38 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.9 109.94 20.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.448 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -150.63 178.84 8.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.329 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -54.22 48.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.793 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.0 t -58.1 -34.47 70.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.916 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.591 ' HB2' ' H ' ' A' ' 603' ' ' ALA . 8.9 mm100 -67.59 -42.91 81.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -60.99 -43.9 98.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -60.59 -39.79 89.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.471 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 605' ' ' SER . 27.5 t -62.67 -39.52 85.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.483 ' OE1' ' HG2' ' B' ' 594' ' ' GLU . 4.1 mt-10 -63.9 -41.57 97.66 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.126 0.489 . . . . 0.0 111.796 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.474 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 3.2 tm-20 -63.18 -40.34 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.433 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 616' ' ' VAL . 11.0 mt -60.71 -44.09 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.543 ' HA ' HD21 ' C' ' 612' ' ' LEU . 3.9 ttm105 -59.26 -39.5 83.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -51.73 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.44 -35.8 81.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 111.127 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 612' ' ' LEU . 55.6 t -66.32 -50.28 69.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.379 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.408 ' OE2' HD11 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.017 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' B' ' 623' ' ' ILE . 9.9 mt -70.57 -40.62 73.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.454 ' HG3' HD21 ' C' ' 619' ' ' LEU . 18.3 ttm-85 -63.83 -40.02 95.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.61 -42.29 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.659 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 626' ' ' MET . 11.9 mt -62.67 -43.14 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.592 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' C' ' 619' ' ' LEU . 13.8 mt -60.77 -43.6 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -43.65 98.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -38.57 80.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 43.0 mtt -65.93 -38.48 88.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.68 -45.15 91.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -66.96 -50.32 62.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -37.13 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -62.02 -42.55 99.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mm-40 -65.84 -41.06 92.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.999 0.428 . . . . 0.0 111.809 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.585 HG21 ' HB3' ' C' ' 633' ' ' GLU . 39.9 mt -65.57 -41.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.121 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.82 99.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.512 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.625 HD23 HD12 ' B' ' 641' ' ' LEU . 2.4 mt -64.63 -43.45 93.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 634' ' ' ILE . 0.2 OUTLIER -62.95 -44.64 95.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -45.49 94.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.408 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.4 -40.37 96.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.898 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.613 HD12 HD23 ' C' ' 637' ' ' LEU . 0.7 OUTLIER -62.92 -44.26 96.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.784 179.494 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 642' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' A' ' 645' ' ' LYS . 0.9 OUTLIER -60.02 -41.54 92.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.509 -179.322 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -40.08 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.216 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.492 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.5 OUTLIER -63.72 -38.46 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.907 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 641' ' ' LEU . 15.7 mttm -61.44 -42.54 98.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.745 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -60.45 -44.95 95.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -179.653 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.5 mt -68.47 -42.47 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 111.185 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.491 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.5 ttm105 -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.038 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -43.01 99.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 13.3 mtm180 -63.34 -33.45 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.668 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -65.09 -44.3 89.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.785 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.612 ' HA ' HD21 ' C' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.63 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.171 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.34 97.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.308 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.71 -42.64 97.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 651' ' ' LEU . 23.0 t -64.19 -37.17 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.13 -40.98 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.45 -47.92 74.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.829 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.601 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 0.6 OUTLIER -65.51 -31.94 56.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.603 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -68.62 -39.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.56 -47.06 85.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.921 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.53 75.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -82.23 -27.51 32.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -52.58 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.722 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.731 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.45 48.42 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 10.2 ttp -131.52 129.62 41.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.647 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.483 ' HG2' ' OE1' ' A' ' 610' ' ' GLU . 3.4 mm-40 -76.39 131.37 39.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.745 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.46 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 111.39 -26.54 11.88 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.749 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 108.02 60.81 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.474 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 93.1 Cg_endo -86.03 159.32 10.12 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.548 2.165 . . . . 0.0 112.974 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.713 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -151.82 121.48 6.96 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.054 0.454 . . . . 0.0 111.388 -179.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 22.8 mtm -136.94 104.46 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.598 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.778 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -127.21 -57.48 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.933 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.778 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.9 Cg_endo -75.64 153.27 38.7 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.441 2.094 . . . . 0.0 112.419 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.92 109.88 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.35 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.735 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -150.63 178.86 8.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.338 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.45 -54.15 49.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.797 ' O ' HG23 ' B' ' 609' ' ' VAL . 22.9 t -58.17 -34.36 70.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.892 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.588 ' HB2' ' H ' ' B' ' 603' ' ' ALA . 8.8 mm100 -67.74 -42.86 81.19 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.715 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -60.94 -44.02 97.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.788 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -60.55 -39.81 89.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.445 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.797 HG23 ' O ' ' B' ' 605' ' ' SER . 27.4 t -62.66 -39.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.477 ' OE1' ' HG2' ' C' ' 594' ' ' GLU . 4.1 mt-10 -63.97 -41.58 97.5 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.189 0.519 . . . . 0.0 111.788 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.486 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 3.2 tm-20 -63.13 -40.38 97.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.42 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.571 ' O ' HG23 ' B' ' 616' ' ' VAL . 11.0 mt -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.127 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.523 ' HA ' HD21 ' A' ' 612' ' ' LEU . 3.9 ttm105 -59.29 -39.42 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.041 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -51.8 67.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.646 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 111.15 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 612' ' ' LEU . 55.0 t -66.26 -50.27 69.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.79 95.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.335 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.418 ' HB3' HH22 ' C' ' 620' ' ' ARG . 0.2 OUTLIER -62.66 -31.06 71.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' C' ' 623' ' ' ILE . 9.9 mt -70.54 -40.54 73.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.45 ' HG3' HD21 ' A' ' 619' ' ' LEU . 18.2 ttm-85 -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.6 -42.33 91.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.647 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.562 ' O ' ' HG3' ' B' ' 626' ' ' MET . 12.0 mt -62.69 -43.09 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.598 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.456 ' CD1' HD22 ' A' ' 619' ' ' LEU . 13.8 mt -60.85 -43.52 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -43.73 98.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -38.53 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.043 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 42.9 mtt -65.85 -38.55 89.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.69 -45.16 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.88 -30.98 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.93 -50.32 62.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.4 ' HG2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.98 -37.11 85.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -61.98 -42.55 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.08 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.975 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.606 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mm-40 -65.8 -40.96 92.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.101 0.477 . . . . 0.0 111.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.598 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.1 mt -65.65 -41.93 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.112 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.85 99.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.392 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.48 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.625 HD23 HD12 ' C' ' 641' ' ' LEU . 2.4 mt -64.59 -43.54 93.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.447 HD12 ' O ' ' B' ' 634' ' ' ILE . 0.2 OUTLIER -62.92 -44.53 95.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -45.52 94.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.773 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -62.32 -40.43 96.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.012 0.434 . . . . 0.0 110.888 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.625 HD12 HD23 ' A' ' 637' ' ' LEU . 0.7 OUTLIER -62.98 -44.29 96.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.728 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 642' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' B' ' 645' ' ' LYS . 0.9 OUTLIER -59.94 -41.59 92.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -40.09 89.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.22 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.49 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.5 OUTLIER -63.76 -38.43 91.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.929 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 641' ' ' LEU . 15.7 mttm -61.47 -42.48 98.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.76 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -60.5 -44.94 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.489 HG12 HH21 ' B' ' 650' ' ' ARG . 3.6 mt -68.47 -42.49 83.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.962 0.41 . . . . 0.0 111.165 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 4.5 ttm105 -60.35 -42.61 96.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.023 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 13.3 mtm180 -63.3 -33.44 75.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.733 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -65.06 -44.37 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.762 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD21 ' A' ' 651' ' ' LEU . 3.1 tt0 -64.14 -40.67 96.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.166 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -41.44 97.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.306 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.68 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 651' ' ' LEU . 23.1 t -64.27 -37.24 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.126 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.1 -40.93 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.759 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.601 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -31.95 56.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.732 -179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.601 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -68.55 -39.64 80.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.111 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.71 -46.97 85.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.51 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.92 -34.96 79.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -82.25 -27.51 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -52.59 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.721 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.067 -0.968 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.735 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 48.42 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 0.0 110.653 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 10.2 ttp -131.56 129.67 41.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.584 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.477 ' HG2' ' OE1' ' B' ' 610' ' ' GLU . 3.4 mm-40 -76.48 131.4 39.0 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.758 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.473 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 111.42 -26.52 11.87 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.761 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 107.9 60.71 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.486 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 93.1 Cg_endo -85.88 159.24 10.33 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.635 2.223 . . . . 0.0 113.04 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.715 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -151.75 121.53 7.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.035 0.445 . . . . 0.0 111.475 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 22.8 mtm -136.95 104.43 5.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.773 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -127.17 -57.46 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.03 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.773 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 68.1 Cg_endo -75.54 153.22 39.09 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.467 2.111 . . . . 0.0 112.385 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.92 109.96 20.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.46 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.735 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -150.62 178.83 8.71 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.355 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -54.2 48.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.791 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.0 t -58.1 -34.42 70.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.897 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.576 ' HB2' ' H ' ' C' ' 603' ' ' ALA . 8.8 mm100 -67.72 -42.83 81.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.7 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -60.99 -44.04 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -60.52 -39.83 89.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.492 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.791 HG23 ' O ' ' C' ' 605' ' ' SER . 27.0 t -62.61 -39.58 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.583 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.481 ' OE1' ' HG2' ' A' ' 594' ' ' GLU . 4.1 mt-10 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.195 0.522 . . . . 0.0 111.812 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.491 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 3.2 tm-20 -63.06 -40.36 97.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.441 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.573 ' O ' HG23 ' C' ' 616' ' ' VAL . 11.0 mt -60.85 -43.93 97.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 111.161 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.529 ' HA ' HD21 ' B' ' 612' ' ' LEU . 3.9 ttm105 -59.31 -39.49 83.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.023 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.87 67.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.567 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 111.086 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.573 HG23 ' O ' ' C' ' 612' ' ' LEU . 55.3 t -66.24 -50.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -44.92 95.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.376 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' A' ' 620' ' ' ARG . 0.2 OUTLIER -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.999 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 623' ' ' ILE . 9.9 mt -70.49 -40.53 73.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' B' ' 619' ' ' LEU . 18.2 ttm-85 -64.04 -39.87 95.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.63 -42.31 91.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.629 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' C' ' 626' ' ' MET . 11.9 mt -62.69 -43.08 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.63 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.46 ' CD1' HD22 ' B' ' 619' ' ' LEU . 13.7 mt -60.88 -43.51 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.57 98.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.264 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -38.53 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 42.9 mtt -65.93 -38.39 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.7 -45.2 91.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.031 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.99 -30.87 69.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -67.04 -50.27 62.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.4 ' HB3' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -65.84 -37.19 85.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -61.96 -42.58 99.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.06 99.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.023 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.585 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.1 mm-40 -65.68 -41.09 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.0 mt -65.66 -41.85 91.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.125 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.5 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.613 HD23 HD12 ' A' ' 641' ' ' LEU . 2.4 mt -64.67 -43.44 93.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.443 HD12 ' O ' ' C' ' 634' ' ' ILE . 0.2 OUTLIER -62.88 -44.65 95.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -45.46 94.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.769 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.412 ' HB3' HD13 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.37 -40.44 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.982 0.42 . . . . 0.0 110.865 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.625 HD12 HD23 ' B' ' 637' ' ' LEU . 0.7 OUTLIER -62.88 -44.29 96.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.822 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 642' ' ' ASP . . . . . 0.511 ' HA ' ' HD2' ' C' ' 645' ' ' LYS . 0.9 OUTLIER -59.97 -41.58 92.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.538 -179.364 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -40.11 89.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.254 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.491 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.5 OUTLIER -63.75 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' C' ' 641' ' ' LEU . 15.6 mttm -61.43 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.699 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -60.52 -44.95 95.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.605 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.478 HG12 HH21 ' C' ' 650' ' ' ARG . 3.5 mt -68.47 -42.52 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 111.216 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 4.5 ttm105 -60.33 -42.55 95.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.063 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 13.3 mtm180 -63.32 -33.46 75.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.661 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.694 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -65.16 -44.28 89.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.755 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.63 ' HA ' HD21 ' B' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.61 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.186 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.43 97.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.67 -42.6 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.694 HG23 ' O ' ' C' ' 651' ' ' LEU . 23.0 t -64.21 -37.14 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.209 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.08 -41.02 99.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.42 -48.04 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.603 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -32.07 56.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.634 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.601 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -68.51 -39.69 81.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.022 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.67 -46.99 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.5 75.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.359 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.98 -34.96 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -82.18 -27.48 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -52.57 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.732 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.38 54.01 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.952 0.406 . . . . 0.0 110.635 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttp -133.09 128.43 36.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.565 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.54 139.06 41.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.742 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.41 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 94.25 -16.25 61.43 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.723 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 102.6 49.61 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.589 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 91.9 Cg_endo -85.28 153.97 10.81 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.64 2.227 . . . . 0.0 112.976 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.568 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -150.43 147.33 27.41 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.953 0.406 . . . . 0.0 111.467 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.477 ' HG3' ' OE1' ' A' ' 606' ' ' GLN . 0.1 OUTLIER -153.66 101.48 2.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.56 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.753 ' HB2' ' HD3' ' A' ' 601' ' ' PRO . 0.7 OUTLIER -128.8 -64.62 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.972 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.753 ' HD3' ' HB2' ' A' ' 600' ' ' GLU . 67.9 Cg_endo -73.3 147.52 42.07 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.417 2.078 . . . . 0.0 112.386 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.92 129.03 54.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.331 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -165.6 169.5 15.27 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.312 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.486 ' HB2' ' HD2' ' B' ' 601' ' ' PRO . 0.7 OUTLIER -55.56 -40.32 71.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.685 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.429 ' O ' HG23 ' A' ' 609' ' ' VAL . 5.1 t -66.96 -42.65 84.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.871 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 0.5 OUTLIER -62.31 -34.08 75.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -66.07 -39.64 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' B' ' 598' ' ' LYS . . . -64.45 -38.27 90.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.437 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 605' ' ' SER . 38.8 t -62.34 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.82 -44.99 91.01 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.154 0.502 . . . . 0.0 111.738 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.599 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.8 OUTLIER -59.98 -42.48 94.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.41 179.423 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.885 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.1 mt -63.54 -37.42 87.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.109 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.883 ' HA ' HD21 ' C' ' 612' ' ' LEU . 6.0 ttm105 -64.29 -36.15 83.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.024 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -41.83 84.71 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.697 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.01 -36.26 79.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.977 0.418 . . . . 0.0 111.164 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 612' ' ' LEU . 71.8 t -67.99 -47.29 79.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -45.03 91.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.312 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.0 OUTLIER -65.49 -41.94 92.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.739 HD21 ' HG3' ' B' ' 620' ' ' ARG . 3.2 mt -60.92 -40.89 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.749 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.43 -44.62 89.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 621' ' ' SER . . . . . 0.635 ' O ' HG23 ' A' ' 625' ' ' THR . 0.1 OUTLIER -67.02 -33.1 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.595 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.604 HG22 ' SD ' ' A' ' 626' ' ' MET . 83.6 mt -70.75 -36.29 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.563 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.66 HD13 HD22 ' C' ' 619' ' ' LEU . 5.2 mt -71.0 -45.28 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -42.27 95.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 621' ' ' SER . 76.7 p -67.49 -40.79 85.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.967 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.604 ' SD ' HG22 ' A' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.422 ' HG2' HE22 ' C' ' 630' ' ' GLN . 4.1 tmtm? -63.43 -40.19 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -48.96 74.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -39.28 89.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.437 HE22 ' HG2' ' B' ' 627' ' ' LYS . 0.2 OUTLIER -68.5 -43.6 76.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.412 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 1.1 mmtp -62.69 -37.29 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -42.59 96.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.039 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.455 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.4 mt-10 -64.7 -42.92 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.104 0.478 . . . . 0.0 111.867 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.583 ' O ' HD12 ' A' ' 638' ' ' LEU . 59.3 mt -66.43 -44.29 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.084 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -56.87 -46.84 81.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.398 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.01 -42.89 95.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.992 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.3 mt -59.09 -40.13 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.714 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 634' ' ' ILE . 0.6 OUTLIER -62.72 -46.43 88.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -31.61 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.797 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.48 -47.58 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -36.05 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.813 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.531 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -64.41 -43.77 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -64.1 -39.19 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.27 -37.44 74.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.1 83.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 644' ' ' GLU . 7.1 mt -66.31 -36.28 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 111.258 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.09 -43.68 70.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.83 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -57.68 -36.55 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -54.47 -47.73 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.581 ' HA ' HD21 ' C' ' 651' ' ' LEU . 1.8 tt0 -59.76 -36.14 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 4.0 mtm -63.29 -40.25 96.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.237 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.52 -41.0 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 651' ' ' LEU . 2.9 t -63.11 -43.13 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.001 0.429 . . . . 0.0 111.193 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.47 76.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -51.2 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.44 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 1.2 tt -67.0 -31.44 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.446 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.38 -44.36 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.88 -42.58 89.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.95 82.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.333 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.21 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.5 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -84.06 -25.1 30.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.811 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t -76.05 -48.43 20.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.616 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 14.7 pttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.39 54.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.007 0.432 . . . . 0.0 110.654 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttp -133.04 128.37 36.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.655 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.57 139.11 41.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.705 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.423 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 94.22 -16.2 61.52 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.734 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 102.59 49.62 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.599 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 92.2 Cg_endo -85.28 153.97 10.81 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.649 2.233 . . . . 0.0 113.01 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -150.46 147.28 27.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.01 0.433 . . . . 0.0 111.45 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.47 ' HG3' ' OE1' ' B' ' 606' ' ' GLN . 0.1 OUTLIER -153.64 101.51 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.538 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.738 ' HB2' ' HD3' ' B' ' 601' ' ' PRO . 0.7 OUTLIER -128.77 -64.6 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.995 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.738 ' HD3' ' HB2' ' B' ' 600' ' ' GLU . 66.6 Cg_endo -73.33 147.54 41.98 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.437 2.092 . . . . 0.0 112.359 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.93 129.07 54.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.371 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.716 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -165.62 169.55 15.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.318 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.493 ' HB2' ' HD2' ' C' ' 601' ' ' PRO . 0.7 OUTLIER -55.62 -40.24 71.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 609' ' ' VAL . 5.1 t -67.03 -42.67 84.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.836 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 0.5 OUTLIER -62.25 -34.08 75.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.571 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -66.18 -39.51 89.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -64.44 -38.36 90.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.427 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 605' ' ' SER . 38.9 t -62.27 -44.96 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.76 -45.03 90.69 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.134 0.492 . . . . 0.0 111.774 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.588 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.8 OUTLIER -60.02 -42.38 94.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.1 mt -63.56 -37.49 87.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.885 ' HA ' HD21 ' A' ' 612' ' ' LEU . 6.0 ttm105 -64.15 -36.31 83.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -41.95 85.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.07 -36.29 79.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.111 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 612' ' ' LEU . 72.5 t -67.91 -47.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -45.07 91.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.361 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.45 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.0 OUTLIER -65.36 -42.02 93.21 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.733 HD21 ' HG3' ' C' ' 620' ' ' ARG . 3.2 mt -60.89 -40.97 95.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.739 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.4 -44.56 89.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.63 ' O ' HG23 ' B' ' 625' ' ' THR . 0.1 OUTLIER -67.11 -33.05 74.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.554 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.596 HG22 ' SD ' ' B' ' 626' ' ' MET . 82.8 mt -70.68 -36.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.633 HD13 HD22 ' A' ' 619' ' ' LEU . 5.2 mt -70.98 -45.24 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.22 95.28 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.248 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 625' ' ' THR . . . . . 0.63 HG23 ' O ' ' B' ' 621' ' ' SER . 76.5 p -67.4 -40.89 85.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.596 ' SD ' HG22 ' B' ' 622' ' ' ILE . 4.7 mtt -62.53 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.437 ' HG2' HE22 ' A' ' 630' ' ' GLN . 4.1 tmtm? -63.42 -40.3 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -48.96 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -39.42 90.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.424 HE22 ' HG2' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -68.44 -43.52 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 -179.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.403 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 1.1 mmtp -62.77 -37.28 86.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.63 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.995 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.455 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.4 mt-10 -64.71 -42.98 94.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.006 0.431 . . . . 0.0 111.84 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.582 ' O ' HD12 ' B' ' 638' ' ' LEU . 59.4 mt -66.37 -44.3 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.083 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -56.81 -46.9 81.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.06 -42.88 95.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.3 mt -58.95 -40.19 83.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.767 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.582 HD12 ' O ' ' B' ' 634' ' ' ILE . 0.6 OUTLIER -62.67 -46.55 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -31.64 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.47 -47.57 63.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -36.1 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.814 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -43.86 93.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.544 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.38 -43.79 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.254 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -64.13 -39.18 93.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.24 -37.48 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.76 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -45.19 83.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' B' ' 644' ' ' GLU . 7.2 mt -66.27 -36.3 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 121.031 0.443 . . . . 0.0 111.179 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 648' ' ' ARG . 3.5 tmm_? -70.11 -43.75 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.73 -52.94 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.63 -36.59 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.628 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -54.48 -47.77 72.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.743 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.581 ' HA ' HD21 ' A' ' 651' ' ' LEU . 1.8 tt0 -59.72 -36.12 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.189 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.9 mtm -63.34 -40.2 96.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.45 -41.08 85.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 651' ' ' LEU . 2.9 t -63.12 -43.12 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 111.138 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.42 75.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -51.12 61.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.439 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 1.2 tt -67.13 -31.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.654 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.44 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.37 -44.41 83.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.085 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.89 -42.56 89.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.88 82.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.355 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.18 72.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -84.09 -25.06 30.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t -75.98 -48.41 21.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.603 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 14.8 pttt . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.29 53.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.639 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttp -133.09 128.32 35.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.599 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.44 139.01 42.02 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.697 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.414 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 94.23 -16.12 61.71 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.765 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 102.61 49.78 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 110.637 -0.134 . . . . 0.0 110.637 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.588 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 92.2 Cg_endo -85.33 153.97 10.75 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.619 2.213 . . . . 0.0 112.963 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.571 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -150.44 147.28 27.35 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.017 0.436 . . . . 0.0 111.431 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.479 ' HG3' ' OE1' ' C' ' 606' ' ' GLN . 0.1 OUTLIER -153.65 101.42 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.551 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.73 ' HB2' ' HD3' ' C' ' 601' ' ' PRO . 0.7 OUTLIER -128.71 -64.53 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.003 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.73 ' HD3' ' HB2' ' C' ' 600' ' ' GLU . 67.3 Cg_endo -73.27 147.52 42.22 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.524 2.149 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.91 129.13 54.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.348 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.726 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -165.68 169.54 15.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.468 ' HB2' ' HD2' ' A' ' 601' ' ' PRO . 0.7 OUTLIER -55.65 -40.19 71.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' C' ' 609' ' ' VAL . 5.1 t -66.99 -42.74 84.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 0.5 OUTLIER -62.27 -34.08 75.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -66.08 -39.58 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.875 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -64.42 -38.3 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.462 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.431 HG23 ' O ' ' C' ' 605' ' ' SER . 38.7 t -62.3 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.68 -45.09 90.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.148 0.499 . . . . 0.0 111.767 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.589 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.8 OUTLIER -59.95 -42.51 94.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.43 179.421 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.883 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.1 mt -63.47 -37.54 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.857 ' HA ' HD21 ' B' ' 612' ' ' LEU . 6.1 ttm105 -64.22 -36.24 83.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -41.91 85.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.634 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.02 -36.25 79.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.019 0.438 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.489 HG23 ' O ' ' C' ' 612' ' ' LEU . 71.6 t -68.05 -47.3 79.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.04 91.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.26 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.443 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.9 OUTLIER -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 620' ' ' ARG . 3.2 mt -60.86 -40.92 94.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.733 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.4 -44.62 89.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 621' ' ' SER . . . . . 0.635 ' O ' HG23 ' C' ' 625' ' ' THR . 0.1 OUTLIER -67.07 -33.05 74.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.62 179.534 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' C' ' 626' ' ' MET . 83.2 mt -70.7 -36.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.628 HD13 HD22 ' B' ' 619' ' ' LEU . 5.2 mt -71.02 -45.29 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.179 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -42.25 95.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 625' ' ' THR . . . . . 0.635 HG23 ' O ' ' C' ' 621' ' ' SER . 76.1 p -67.41 -40.86 85.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.007 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.606 ' SD ' HG22 ' C' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.424 ' HG2' HE22 ' B' ' 630' ' ' GLN . 4.1 tmtm? -63.53 -40.18 96.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -48.91 75.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.031 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -39.36 90.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.422 HE22 ' HG2' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -68.46 -43.52 76.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.408 ' HE3' ' HG3' ' B' ' 630' ' ' GLN . 1.1 mmtp -62.7 -37.33 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -42.62 95.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.443 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.4 mt-10 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.068 0.461 . . . . 0.0 111.886 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.594 ' O ' HD12 ' C' ' 638' ' ' LEU . 59.5 mt -66.33 -44.27 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -56.81 -46.83 81.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.443 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.22 -42.8 95.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.3 mt -59.09 -40.04 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.594 HD12 ' O ' ' C' ' 634' ' ' ILE . 0.6 OUTLIER -62.78 -46.48 87.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.119 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.51 -47.52 63.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -36.13 79.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.79 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.86 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.46 -43.75 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.186 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.425 ' HA ' HD12 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -64.16 -39.19 93.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.22 -37.46 74.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -45.12 83.12 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' C' ' 644' ' ' GLU . 7.1 mt -66.36 -36.19 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.211 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.6 tmm_? -70.17 -43.74 70.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.024 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.407 HD23 ' HE2' ' C' ' 653' ' ' MET . 1.5 tt -58.76 -52.99 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.747 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.719 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.759 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -54.47 -47.76 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.711 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' B' ' 651' ' ' LEU . 1.8 tt0 -59.79 -36.07 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.209 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 653' ' ' MET . . . . . 0.407 ' HE2' HD23 ' C' ' 649' ' ' LEU . 4.0 mtm -63.32 -40.25 96.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.41 -41.14 85.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.586 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.759 HG23 ' O ' ' C' ' 651' ' ' LEU . 2.9 t -63.01 -43.16 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 111.203 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.34 -33.45 76.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -51.07 61.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.741 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.446 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 1.2 tt -67.13 -31.38 53.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.439 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.32 -44.43 83.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.81 -42.64 89.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.9 82.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.339 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.7 -31.17 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -83.98 -25.14 30.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t -75.94 -48.48 21.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.603 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 14.7 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.051 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' A' ' 591' ' ' GLY . 5.7 m170 -140.75 80.96 1.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.902 0.382 . . . . 0.0 110.678 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.88 132.71 19.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.602 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -79.77 125.35 29.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.669 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.522 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 96.22 -8.1 67.02 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.717 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.66 104.02 55.3 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.38 169.73 10.94 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.58 2.186 . . . . 0.0 112.995 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' C' ' 608' ' ' ALA . 1.7 ttpt -164.98 156.26 14.78 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.052 0.454 . . . . 0.0 111.382 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.462 ' HA ' HE22 ' A' ' 606' ' ' GLN . 0.7 OUTLIER -163.98 101.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.579 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.584 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.3 OUTLIER -123.42 -64.23 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.0 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.584 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 66.9 Cg_endo -75.55 150.65 36.14 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.49 2.127 . . . . 0.0 112.362 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.21 118.13 35.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.388 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -157.13 167.01 31.68 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.323 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.412 ' OG ' ' HB2' ' B' ' 600' ' ' GLU . 0.9 OUTLIER -57.63 -25.92 60.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 609' ' ' VAL . 29.7 t -73.52 -38.9 65.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.462 HE22 ' HA ' ' A' ' 599' ' ' MET . 7.3 mm-40 -70.73 -36.99 73.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.17 99.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' B' ' 598' ' ' LYS . . . -59.16 -42.91 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.417 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 605' ' ' SER . 2.4 t -68.38 -33.18 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -48.78 80.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.14 0.495 . . . . 0.0 111.734 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.524 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.9 OUTLIER -62.64 -43.84 97.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.433 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.627 HD22 HG21 ' B' ' 616' ' ' VAL . 7.7 mt -59.71 -39.22 83.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.618 HH11 ' HB2' ' A' ' 613' ' ' ARG . 8.8 ttm105 -59.12 -45.55 90.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -47.95 83.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.675 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.553 HE22 HH21 ' B' ' 617' ' ' ARG . 4.1 tt0 -69.19 -36.42 77.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.997 0.427 . . . . 0.0 111.122 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.615 HG21 HD22 ' C' ' 612' ' ' LEU . 36.1 t -65.35 -46.68 89.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.162 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.552 HH21 HE22 ' C' ' 615' ' ' GLN . 0.0 OUTLIER -64.69 -42.52 95.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.356 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.014 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 623' ' ' ILE . 1.9 mt -55.49 -41.88 73.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.616 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.82 -46.21 88.18 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.87 -32.5 74.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.59 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 626' ' ' MET . 43.4 mt -68.29 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.048 0.452 . . . . 0.0 111.672 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 619' ' ' LEU . 4.3 mt -63.3 -38.79 83.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.95 -43.2 88.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.48 -45.77 74.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.007 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.413 ' HG3' ' HB3' ' C' ' 626' ' ' MET . 3.2 tmtm? -64.02 -40.09 95.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.21 -40.0 93.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.37 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.771 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -65.27 -42.84 92.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.468 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -64.05 -40.92 97.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 632' ' ' ARG . . . . . 0.466 ' NH2' ' HB3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.37 98.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.959 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' B' ' 634' ' ' ILE . 1.3 mt-10 -63.78 -43.03 97.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.873 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.716 HG21 ' HB3' ' C' ' 633' ' ' GLU . 27.0 mt -65.64 -43.15 93.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.115 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.1 -44.45 79.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -35.66 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.632 HD12 HG23 ' B' ' 634' ' ' ILE . 3.0 mt -65.24 -43.87 90.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.9 -45.25 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.103 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.57 -39.74 92.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.93 -43.52 92.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.11 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.762 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.35 -34.15 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -70.01 -48.25 58.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.211 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.498 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -35.44 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.887 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.5 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 21.2 mttm -61.26 -38.78 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.25 87.01 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.469 ' H ' HG13 ' A' ' 647' ' ' ILE . 1.8 mt -68.12 -41.45 84.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.465 HH21 ' HG2' ' C' ' 644' ' ' GLU . 3.4 tmm_? -56.3 -49.97 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.0 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.17 95.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.49 -35.78 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.37 -44.96 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.536 ' HA ' HD21 ' C' ' 651' ' ' LEU . 5.6 tt0 -59.35 -38.68 81.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.168 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.01 -40.34 94.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.336 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.554 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.6 t -62.62 -39.13 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.98 0.419 . . . . 0.0 111.189 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -62.87 -33.61 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.71 -50.97 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 658' ' ' ILE . 0.7 OUTLIER -64.09 -30.03 48.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.658 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -43.99 87.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -40.6 95.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.67 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.304 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -29.11 66.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -28.98 24.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.7 t -67.75 -32.58 73.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 6.3 pttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.03 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 592' ' ' HIS . . . . . 0.415 ' HD2' ' O ' ' B' ' 591' ' ' GLY . 5.7 m170 -140.8 81.05 1.78 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.926 0.394 . . . . 0.0 110.621 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.93 132.83 19.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.583 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -79.84 125.38 29.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.671 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.524 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 96.11 -7.94 67.22 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.747 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 104.04 55.25 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 110.602 -0.148 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.38 169.72 10.94 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.563 2.175 . . . . 0.0 113.008 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 608' ' ' ALA . 1.7 ttpt -165.0 156.23 14.72 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.108 0.48 . . . . 0.0 111.375 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.477 ' HA ' HE22 ' B' ' 606' ' ' GLN . 0.7 OUTLIER -163.97 101.94 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.584 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.599 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -123.42 -64.27 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.931 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.599 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.3 Cg_endo -75.54 150.64 36.16 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.412 2.074 . . . . 0.0 112.358 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.14 118.18 35.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.412 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -157.18 166.98 31.7 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.338 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -25.97 60.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 609' ' ' VAL . 29.7 t -73.51 -38.9 65.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.882 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.477 HE22 ' HA ' ' B' ' 599' ' ' MET . 7.4 mm-40 -70.64 -37.16 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.16 98.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -59.22 -42.89 92.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 605' ' ' SER . 2.4 t -68.34 -33.25 59.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.657 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.02 -48.87 79.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.174 0.512 . . . . 0.0 111.791 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.526 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.9 OUTLIER -62.53 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.604 HD22 HG21 ' C' ' 616' ' ' VAL . 7.8 mt -59.69 -39.24 83.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.11 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.626 ' HB2' HH11 ' B' ' 613' ' ' ARG . 8.9 ttm105 -59.09 -45.59 90.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -47.85 83.62 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.621 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.559 HE22 HH21 ' C' ' 617' ' ' ARG . 4.1 tt0 -69.33 -36.32 76.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 111.15 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.627 HG21 HD22 ' A' ' 612' ' ' LEU . 36.5 t -65.37 -46.6 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.553 HH21 HE22 ' A' ' 615' ' ' GLN . 0.0 OUTLIER -64.81 -42.48 94.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.14 -40.22 95.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.657 ' O ' HD12 ' B' ' 623' ' ' ILE . 1.8 mt -55.51 -41.84 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.629 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.91 -46.15 88.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' B' ' 626' ' ' MET . 43.4 mt -68.38 -47.98 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.655 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.657 HD12 ' O ' ' B' ' 619' ' ' LEU . 4.3 mt -63.31 -38.86 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.21 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.88 -43.17 89.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -45.69 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.99 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.56 98.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' A' ' 626' ' ' MET . 3.2 tmtm? -64.2 -39.95 95.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.41 78.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.453 ' HG3' ' HE3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -65.31 -42.69 92.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.973 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.465 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.16 -40.86 97.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.452 ' NH2' ' HB3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.978 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.711 ' HB3' HG21 ' C' ' 634' ' ' ILE . 1.3 mt-10 -63.74 -43.07 97.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.108 0.48 . . . . 0.0 111.877 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' A' ' 633' ' ' GLU . 27.2 mt -65.58 -43.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.102 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.02 -44.46 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.401 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -35.63 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.645 HD12 HG23 ' C' ' 634' ' ' ILE . 3.0 mt -65.25 -43.84 90.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.763 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.81 -45.27 94.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.168 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.65 -39.73 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.95 -43.6 92.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.74 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.36 -34.16 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.05 -48.19 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.245 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.497 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.42 79.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.896 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 21.1 mttm -61.27 -38.84 88.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.36 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.489 ' H ' HG13 ' B' ' 647' ' ' ILE . 1.8 mt -67.99 -41.59 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.101 0.477 . . . . 0.0 111.162 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.483 HH21 ' HG2' ' A' ' 644' ' ' GLU . 3.4 tmm_? -56.32 -49.91 72.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.24 95.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -64.39 -35.83 82.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.726 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.729 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.554 ' HA ' HD21 ' A' ' 651' ' ' LEU . 5.6 tt0 -59.41 -38.68 81.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.152 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.93 -40.47 95.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.301 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -46.64 88.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.544 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.6 t -62.58 -39.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.86 -33.59 75.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.57 -51.04 55.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.7 OUTLIER -64.14 -30.02 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.659 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -44.05 87.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -40.7 95.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.62 83.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.17 66.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -29.05 24.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t -67.73 -32.64 73.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 6.3 pttt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.03 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 592' ' ' HIS . . . . . 0.422 ' HD2' ' O ' ' C' ' 591' ' ' GLY . 5.6 m170 -140.86 81.08 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.626 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.93 132.75 19.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.579 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -79.72 125.33 29.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.727 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.526 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 96.22 -8.01 66.98 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.724 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 104.04 55.24 Favored Pre-proline 0 CA--C 1.531 0.218 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.41 169.72 10.9 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.554 2.169 . . . . 0.0 112.978 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' B' ' 608' ' ' ALA . 1.7 ttpt -164.96 156.25 14.82 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.101 0.477 . . . . 0.0 111.461 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.475 ' HA ' HE22 ' C' ' 606' ' ' GLN . 0.7 OUTLIER -163.93 101.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.592 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.609 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -123.42 -64.24 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.938 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.609 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.4 Cg_endo -75.47 150.69 36.56 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.434 2.089 . . . . 0.0 112.375 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.25 118.16 35.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.38 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -157.15 166.98 31.75 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.325 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' A' ' 600' ' ' GLU . 0.9 OUTLIER -57.57 -25.93 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.544 ' O ' HG23 ' C' ' 609' ' ' VAL . 29.6 t -73.57 -38.84 65.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.91 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.475 HE22 ' HA ' ' C' ' 599' ' ' MET . 7.3 mm-40 -70.67 -37.09 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.13 98.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -59.2 -42.91 92.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.398 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 605' ' ' SER . 2.4 t -68.39 -33.24 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.583 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.08 -48.78 80.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.176 0.513 . . . . 0.0 111.782 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.522 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.9 OUTLIER -62.56 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.419 179.419 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 616' ' ' VAL . 7.7 mt -59.81 -39.09 83.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.631 HH11 ' HB2' ' C' ' 613' ' ' ARG . 8.8 ttm105 -59.21 -45.57 90.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -47.94 83.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.652 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.552 HE22 HH21 ' A' ' 617' ' ' ARG . 4.1 tt0 -69.29 -36.31 76.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.998 0.427 . . . . 0.0 111.146 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.604 HG21 HD22 ' B' ' 612' ' ' LEU . 36.0 t -65.34 -46.68 89.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.559 HH21 HE22 ' B' ' 615' ' ' GLN . 0.0 OUTLIER -64.7 -42.55 95.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.31 -179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.21 95.68 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.012 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.631 ' O ' HD12 ' C' ' 623' ' ' ILE . 1.9 mt -55.48 -41.79 73.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.067 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.642 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.88 -46.27 88.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.82 -32.44 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.571 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' C' ' 626' ' ' MET . 42.8 mt -68.46 -47.93 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.631 HD12 ' O ' ' C' ' 619' ' ' LEU . 4.3 mt -63.28 -38.88 83.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -65.83 -43.24 89.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -45.83 74.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 17.3 mtt -60.99 -42.56 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.969 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.423 ' HG3' ' HB3' ' B' ' 626' ' ' MET . 3.2 tmtm? -64.15 -39.98 95.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.31 -39.99 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.04 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -42.42 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.468 ' HG3' ' HE3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -65.32 -42.79 92.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.468 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -40.88 97.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 632' ' ' ARG . . . . . 0.468 ' NH2' ' HB3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.38 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.969 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.716 ' HB3' HG21 ' A' ' 634' ' ' ILE . 1.3 mt-10 -63.81 -42.99 97.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 111.874 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' B' ' 633' ' ' GLU . 27.2 mt -65.6 -43.23 94.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.141 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.09 -44.42 79.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.427 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -35.63 81.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.637 HD12 HG23 ' A' ' 634' ' ' ILE . 3.0 mt -65.28 -43.81 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.782 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.87 -45.29 94.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.2 p -61.52 -39.8 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.93 -43.59 92.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.036 0.446 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.754 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.558 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.08 -48.23 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.201 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.5 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.52 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.781 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.497 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 21.1 mttm -61.19 -38.82 87.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -47.29 86.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.439 ' HB ' ' HD3' ' A' ' 648' ' ' ARG . 1.8 mt -68.11 -41.51 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 121.068 0.461 . . . . 0.0 111.159 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.473 HH21 ' HG2' ' B' ' 644' ' ' GLU . 3.4 tmm_? -56.24 -49.99 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.075 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -40.26 95.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.695 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.42 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.563 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.3 -44.88 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.549 ' HA ' HD21 ' B' ' 651' ' ' LEU . 5.6 tt0 -59.44 -38.66 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.96 -40.46 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.31 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -46.65 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.548 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.563 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.6 t -62.54 -39.23 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.82 -33.66 75.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.55 -51.12 54.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.728 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.411 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.7 OUTLIER -64.01 -30.03 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.7 -179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.63 -44.06 87.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.62 95.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.57 83.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.21 66.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.544 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -29.02 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t -67.72 -32.65 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 6.4 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.049 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.429 ' HA2' HG23 ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -67.92 142.6 55.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.905 0.383 . . . . 0.0 110.677 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 4.6 mtp -122.53 140.66 52.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.62 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.429 ' HG2' ' HG2' ' B' ' 620' ' ' ARG . 0.6 OUTLIER -61.51 -44.79 96.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.742 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.16 58.33 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.832 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.728 ' HG3' ' HB3' ' B' ' 617' ' ' ARG . 2.2 mppt? 60.08 78.26 0.34 Allowed Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.648 -0.13 . . . . 0.0 110.648 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.458 ' HD2' ' CD ' ' B' ' 617' ' ' ARG . 91.9 Cg_endo -85.59 -14.7 5.41 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.607 2.205 . . . . 0.0 113.028 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.613 ' HG3' ' HD2' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -142.49 48.03 1.56 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.129 0.49 . . . . 0.0 111.46 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.653 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 1.7 ttt -59.84 -23.5 63.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.585 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -102.3 145.12 29.94 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.0 164.11 36.7 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.415 2.077 . . . . 0.0 112.392 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.4 177.43 8.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.356 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.54 -60.8 3.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.326 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 607' ' ' ALA . 0.2 OUTLIER -58.3 134.96 57.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.213 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.7 m -71.0 -42.31 69.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -42.02 79.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 604' ' ' SER . . . -66.0 -40.99 91.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 605' ' ' SER . 62.4 t -62.86 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.3 -38.29 79.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.182 0.515 . . . . 0.0 111.783 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.31 -42.86 92.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 616' ' ' VAL . 9.9 tp -67.46 -39.62 85.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.425 ' HD2' HD13 ' C' ' 612' ' ' LEU . 2.8 tpt180 -62.43 -43.6 98.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.598 HG22 ' HG2' ' C' ' 599' ' ' MET . 13.1 p -63.53 -41.91 98.46 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.642 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -37.9 78.69 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 111.13 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 612' ' ' LEU . 88.8 t -67.02 -50.15 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.724 ' HB3' ' HG3' ' C' ' 596' ' ' LYS . 0.4 OUTLIER -60.74 -48.11 83.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -37.86 86.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 623' ' ' ILE . 53.2 tp -63.39 -40.19 96.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.664 ' HD2' HD13 ' C' ' 619' ' ' LEU . 0.7 OUTLIER -61.59 -35.35 77.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 621' ' ' SER . . . . . 0.418 ' HA ' ' H ' ' C' ' 594' ' ' GLU . 0.6 OUTLIER -62.77 -39.46 94.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 619' ' ' LEU . 11.6 mt -70.09 -37.45 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.635 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.1 mp -61.66 -48.87 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.246 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.67 -34.05 75.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 3.1 m -72.26 -43.47 64.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.009 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.408 ' HG3' ' HE3' ' B' ' 627' ' ' LYS . 5.6 ttm -63.18 -35.48 80.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 1.0 OUTLIER -65.75 -51.02 62.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -28.0 65.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 625' ' ' THR . 0.0 OUTLIER -68.73 -43.15 76.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.796 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 627' ' ' LYS . 12.2 pt20 -70.04 -33.94 72.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -65.8 -38.29 88.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -72.19 -39.82 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.966 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.52 -50.75 70.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.943 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.95 -35.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.114 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 4.2 ttpp -59.48 -50.84 72.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.405 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.26 -32.5 73.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.994 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.53 88.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.763 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.32 -40.39 93.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -39.01 92.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.619 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 25.0 tt0 -68.99 -35.74 77.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 645' ' ' LYS . 0.8 OUTLIER -68.73 -38.72 80.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.803 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.77 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.486 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.43 72.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.238 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -67.43 -33.57 75.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.892 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.627 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 7.0 mttt -64.43 -45.84 85.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.767 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -65.96 -47.7 73.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.553 ' HA ' ' HD3' ' A' ' 650' ' ' ARG . 15.1 tt -65.21 -37.88 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.127 0.489 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.25 -43.44 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.637 ' HA ' ' HG3' ' A' ' 652' ' ' GLN . 6.0 tt -62.11 -39.12 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.553 ' HD3' ' HA ' ' A' ' 647' ' ' ILE . 1.0 OUTLIER -59.93 -40.95 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.758 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.6 HD22 ' HG2' ' B' ' 652' ' ' GLN . 21.9 tp -65.62 -37.09 85.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.637 ' HG3' ' HA ' ' A' ' 649' ' ' LEU . 0.7 OUTLIER -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.157 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -41.16 91.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.315 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.487 ' O ' HG13 ' A' ' 658' ' ' ILE . 3.0 tp10 -67.52 -40.38 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.518 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' ' 658' ' ' ILE . 53.7 t -59.04 -46.22 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.14 -35.58 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.722 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.53 ' CG2' HD13 ' B' ' 662' ' ' LEU . 3.2 mt -66.25 -36.17 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.649 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.4 ' HG2' HG12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -66.89 -38.77 86.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.831 0.348 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.62 -53.47 54.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.305 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.536 HD13 ' CG2' ' C' ' 658' ' ' ILE . 0.4 OUTLIER -64.47 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -32.1 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 31.3 m -63.68 -41.91 98.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.44 ' HD2' ' CD ' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.048 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.413 ' HA2' HG23 ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -67.97 142.62 55.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.923 0.392 . . . . 0.0 110.638 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 4.6 mtp -122.57 140.62 52.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.577 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.435 ' HG2' ' HG2' ' C' ' 620' ' ' ARG . 0.6 OUTLIER -61.5 -44.74 96.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.753 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.13 58.41 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.818 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.724 ' HG3' ' HB3' ' C' ' 617' ' ' ARG . 2.3 mppt? 60.11 78.26 0.34 Allowed Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.618 -0.141 . . . . 0.0 110.618 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.456 ' HD2' ' CD ' ' C' ' 617' ' ' ARG . 93.3 Cg_endo -85.66 -14.69 5.34 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.559 2.173 . . . . 0.0 112.933 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.61 ' HG3' ' HD2' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -142.44 48.06 1.56 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.076 0.465 . . . . 0.0 111.442 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.676 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 1.7 ttt -59.85 -23.47 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.576 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -102.3 145.09 29.88 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.403 ' HB3' ' HD3' ' C' ' 613' ' ' ARG . 67.3 Cg_endo -71.95 164.1 36.72 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.498 2.132 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.37 177.45 8.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.419 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.56 -60.85 2.95 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.3 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.475 ' HB3' ' HB3' ' B' ' 607' ' ' ALA . 0.2 OUTLIER -58.3 134.91 56.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' B' ' 609' ' ' VAL . 23.5 m -70.96 -42.33 69.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.91 79.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' B' ' 604' ' ' SER . . . -66.05 -40.97 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.19 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 605' ' ' SER . 62.5 t -62.95 -48.95 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.19 -38.43 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.186 0.517 . . . . 0.0 111.778 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.28 -42.83 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.441 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 616' ' ' VAL . 9.9 tp -67.55 -39.63 84.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.787 0.327 . . . . 0.0 111.091 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.413 ' HD2' HD13 ' A' ' 612' ' ' LEU . 2.9 tpt180 -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.578 HG22 ' HG2' ' A' ' 599' ' ' MET . 13.2 p -63.52 -41.88 98.49 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.697 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -37.77 78.32 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.983 0.421 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 612' ' ' LEU . 88.7 t -67.09 -50.11 66.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.728 ' HB3' ' HG3' ' A' ' 596' ' ' LYS . 0.4 OUTLIER -60.82 -48.08 83.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.294 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -37.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.978 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.754 ' O ' HD12 ' B' ' 623' ' ' ILE . 53.2 tp -63.46 -40.18 96.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.647 ' HD2' HD13 ' A' ' 619' ' ' LEU . 0.7 OUTLIER -61.66 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.414 ' HA ' ' H ' ' A' ' 594' ' ' GLU . 0.6 OUTLIER -62.89 -39.31 94.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' B' ' 619' ' ' LEU . 11.6 mt -70.14 -37.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.616 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.754 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.1 mp -61.69 -48.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.7 -33.95 74.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.256 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 625' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 3.1 m -72.22 -43.59 64.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.009 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.421 ' HG3' ' HE3' ' C' ' 627' ' ' LYS . 5.6 ttm -63.13 -35.47 80.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 1.0 OUTLIER -65.82 -50.93 62.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -28.03 65.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.069 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' B' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.1 76.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 12.2 pt20 -70.15 -33.96 72.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -65.73 -38.29 88.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -72.25 -39.72 68.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.969 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.66 -50.69 70.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 111.879 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.99 -35.87 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 4.3 ttpp -59.41 -50.86 72.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.27 -32.52 73.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.49 88.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.3 -40.42 93.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.05 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.793 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.605 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 25.0 tt0 -68.93 -35.71 77.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' B' ' 645' ' ' LYS . 0.8 OUTLIER -68.8 -38.76 80.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.758 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -29.71 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -69.56 -43.47 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.872 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.619 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 6.9 mttt -64.43 -45.78 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.0 -47.72 73.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.176 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.566 ' HA ' ' HD3' ' B' ' 650' ' ' ARG . 15.2 tt -65.24 -37.91 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.092 0.472 . . . . 0.0 111.144 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.15 -43.51 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.655 ' HA ' ' HG3' ' B' ' 652' ' ' GLN . 5.9 tt -62.06 -39.04 91.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.77 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.566 ' HD3' ' HA ' ' B' ' 647' ' ' ILE . 1.0 OUTLIER -60.04 -40.95 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' C' ' 652' ' ' GLN . 22.1 tp -65.68 -37.1 85.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.655 ' HG3' ' HA ' ' B' ' 649' ' ' LEU . 0.7 OUTLIER -58.25 -44.53 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.151 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -41.22 91.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 658' ' ' ILE . 3.0 tp10 -67.38 -40.51 85.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.468 ' HA ' HD12 ' B' ' 658' ' ' ILE . 54.3 t -58.92 -46.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.21 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.12 -35.61 77.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.22 -42.56 98.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.529 ' CG2' HD13 ' C' ' 662' ' ' LEU . 3.2 mt -66.16 -36.2 76.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.591 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -38.69 86.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.852 0.358 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.64 -53.55 52.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.08 79.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.39 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.53 HD13 ' CG2' ' A' ' 658' ' ' ILE . 0.4 OUTLIER -64.38 -33.89 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.78 -32.13 31.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 31.4 m -63.75 -41.83 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.44 ' HE3' ' HE3' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.428 ' HA2' HG23 ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -67.96 142.63 55.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.947 0.403 . . . . 0.0 110.654 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 4.6 mtp -122.59 140.66 52.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.55 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.43 ' HG2' ' HG2' ' A' ' 620' ' ' ARG . 0.6 OUTLIER -61.52 -44.81 96.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.685 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.13 58.41 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.824 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.724 ' HG3' ' HB3' ' A' ' 617' ' ' ARG . 2.3 mppt? 60.1 78.26 0.34 Allowed Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.46 ' HD2' ' CD ' ' A' ' 617' ' ' ARG . 92.4 Cg_endo -85.58 -14.73 5.41 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.603 2.202 . . . . 0.0 113.036 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.59 ' HG3' ' HD2' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -142.43 48.01 1.57 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.064 0.459 . . . . 0.0 111.463 -179.791 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.668 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 1.7 ttt -59.76 -23.58 63.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.586 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -102.3 145.03 29.79 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.983 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.409 ' HB3' ' HD3' ' A' ' 613' ' ' ARG . 67.3 Cg_endo -71.86 164.14 36.63 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.468 2.112 . . . . 0.0 112.437 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.41 177.39 8.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.39 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.57 -60.8 3.02 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' C' ' 607' ' ' ALA . 0.2 OUTLIER -58.33 134.92 57.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 -179.639 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.543 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.8 m -71.0 -42.29 69.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -68.55 -41.89 79.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' C' ' 604' ' ' SER . . . -66.08 -40.99 91.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.16 91.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.398 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.543 HG23 ' O ' ' C' ' 605' ' ' SER . 62.6 t -62.87 -48.96 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.31 -38.27 79.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.201 0.524 . . . . 0.0 111.789 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.32 -42.9 92.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.452 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.707 ' O ' HG23 ' C' ' 616' ' ' VAL . 9.9 tp -67.52 -39.56 85.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' B' ' 612' ' ' LEU . 2.8 tpt180 -62.47 -43.57 98.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.039 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.594 HG22 ' HG2' ' B' ' 599' ' ' MET . 13.2 p -63.56 -41.89 98.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.643 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -37.8 78.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.707 HG23 ' O ' ' C' ' 612' ' ' LEU . 89.1 t -67.07 -50.08 67.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.724 ' HB3' ' HG3' ' B' ' 596' ' ' LYS . 0.4 OUTLIER -60.87 -47.96 83.97 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.369 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -37.78 86.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.75 ' O ' HD12 ' C' ' 623' ' ' ILE . 53.3 tp -63.46 -40.11 96.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.662 ' HD2' HD13 ' B' ' 619' ' ' LEU . 0.7 OUTLIER -61.65 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 621' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' B' ' 594' ' ' GLU . 0.6 OUTLIER -62.93 -39.32 94.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.57 179.506 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' C' ' 619' ' ' LEU . 11.5 mt -70.16 -37.4 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.062 0.458 . . . . 0.0 111.643 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.75 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.1 mp -61.68 -48.94 86.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.65 -33.99 74.91 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 625' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 3.1 m -72.26 -43.61 64.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.426 ' HG3' ' HE3' ' A' ' 627' ' ' LYS . 5.6 ttm -63.01 -35.54 80.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 1.0 OUTLIER -65.77 -50.89 63.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 628' ' ' ASP . . . . . 0.401 ' HB3' HH21 ' C' ' 632' ' ' ARG . 0.5 OUTLIER -70.17 -27.92 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.104 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' C' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.18 76.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.787 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' C' ' 627' ' ' LYS . 12.2 pt20 -70.04 -34.05 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -65.72 -38.26 88.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 632' ' ' ARG . . . . . 0.401 HH21 ' HB3' ' C' ' 628' ' ' ASP . 29.5 mtt180 -72.21 -39.79 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.59 -50.71 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 0.0 111.904 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.96 -35.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.111 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 4.3 ttpp -59.39 -50.78 72.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.477 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.39 -32.48 73.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -44.57 88.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.17 -40.44 94.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -39.01 92.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.627 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 25.0 tt0 -68.98 -35.77 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' C' ' 645' ' ' LYS . 0.8 OUTLIER -68.71 -38.71 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.833 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.527 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.45 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.209 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.483 ' HA ' HG22 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -67.41 -33.62 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.85 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.605 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 7.0 mttt -64.47 -45.79 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.63 73.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.557 ' HA ' ' HD3' ' C' ' 650' ' ' ARG . 15.1 tt -65.19 -37.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.104 0.478 . . . . 0.0 111.294 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.31 -43.43 81.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.64 ' HA ' ' HG3' ' C' ' 652' ' ' GLN . 6.0 tt -62.13 -39.02 91.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.557 ' HD3' ' HA ' ' C' ' 647' ' ' ILE . 1.0 OUTLIER -60.05 -40.91 91.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.706 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.604 HD22 ' HG2' ' A' ' 652' ' ' GLN . 22.1 tp -65.63 -37.12 85.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.64 ' HG3' ' HA ' ' C' ' 649' ' ' LEU . 0.7 OUTLIER -58.28 -44.45 88.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.193 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -41.16 91.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.261 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.49 ' O ' HG13 ' C' ' 658' ' ' ILE . 3.0 tp10 -67.43 -40.47 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' C' ' 658' ' ' ILE . 54.0 t -58.99 -46.23 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.08 -35.6 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.35 -42.52 98.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.536 ' CG2' HD13 ' A' ' 662' ' ' LEU . 3.1 mt -66.13 -36.21 76.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.693 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.76 86.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.55 -53.48 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.94 78.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.295 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.529 HD13 ' CG2' ' B' ' 658' ' ' ILE . 0.4 OUTLIER -64.46 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -32.17 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 31.2 m -63.72 -41.9 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.442 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.71 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 82.73 2.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.92 0.39 . . . . 0.0 110.636 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 5.2 mtp -152.33 111.09 3.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.573 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.453 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 47.6 mm-40 -58.1 125.18 22.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.699 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.555 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 98.28 7.87 55.59 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.755 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 98.54 51.22 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.578 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 92.4 Cg_endo -85.45 116.13 1.66 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.593 2.196 . . . . 0.0 112.998 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' C' ' 604' ' ' SER . 2.0 ttpt -124.66 114.16 18.97 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.042 0.449 . . . . 0.0 111.432 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.73 77.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.604 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.547 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.3 OUTLIER -101.92 -69.94 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.022 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.596 ' CD ' ' HB2' ' C' ' 604' ' ' SER . 66.9 Cg_endo -73.46 118.71 5.61 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.379 2.053 . . . . 0.0 112.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.12 131.01 37.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.394 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.71 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -166.75 173.56 9.45 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.348 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.584 ' HB2' ' CD ' ' B' ' 601' ' ' PRO . 1.2 m -54.73 -42.47 71.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t -64.11 -38.6 91.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -24.43 59.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -63.42 -41.54 98.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -61.17 -38.95 88.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.47 -33.87 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.455 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 3.8 mm-40 -62.8 -43.54 98.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.153 0.501 . . . . 0.0 111.74 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.529 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.4 OUTLIER -65.6 -43.63 89.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.388 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.977 HD21 ' HA ' ' B' ' 613' ' ' ARG . 12.5 mt -59.59 -43.02 93.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.084 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.95 ' HA ' HD21 ' C' ' 612' ' ' LEU . 25.5 ttm180 -57.84 -35.76 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.56 81.37 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.653 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -29.96 65.03 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.765 HG21 HD22 ' C' ' 612' ' ' LEU . 73.8 t -66.77 -46.18 86.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.44 -45.66 89.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.513 ' O ' ' HB ' ' A' ' 622' ' ' ILE . 13.6 mt -63.95 -48.32 76.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.594 ' HA ' HD12 ' A' ' 623' ' ' ILE . 2.7 ttm180 -57.94 -51.2 70.6 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 65.2 p -61.17 -23.84 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.513 ' HB ' ' O ' ' A' ' 619' ' ' LEU . 2.1 mt -68.35 -50.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.043 0.449 . . . . 0.0 111.629 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -65.6 -36.52 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.25 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.13 -44.72 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.63 -43.32 94.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.004 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.578 ' SD ' HG22 ' B' ' 623' ' ' ILE . 39.5 mtt -67.69 -30.68 70.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.514 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 4.4 tmtm? -69.16 -42.74 75.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.12 -38.55 85.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.006 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.24 -44.14 92.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.795 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.44 HE21 ' HB2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -69.71 -35.7 75.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.003 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -44.9 93.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -43.83 97.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.533 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.4 mm-40 -61.51 -44.03 97.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 111.874 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.546 HG21 ' HB3' ' C' ' 633' ' ' GLU . 90.4 mt -64.33 -38.6 82.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.096 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.72 ' HA ' ' HE3' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.45 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.3 -38.12 89.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.616 HD23 HD12 ' B' ' 641' ' ' LEU . 0.4 OUTLIER -64.15 -42.83 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.14 -46.75 85.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.67 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.8 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.728 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -66.43 -40.29 89.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.9 OUTLIER -66.36 -38.19 87.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.75 179.612 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.93 -43.68 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.571 ' O ' HD12 ' A' ' 647' ' ' ILE . 31.6 tt0 -58.56 -47.21 85.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.265 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -59.24 -40.36 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.446 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 5.8 mttt -61.93 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mtmm -59.4 -47.06 86.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 643' ' ' GLU . 3.6 mt -67.28 -34.02 66.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 111.185 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.51 ' NH2' HD13 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -63.33 -42.56 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.059 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 646' ' ' LYS . 11.1 mt -57.53 -46.88 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.495 HH21 HG13 ' A' ' 647' ' ' ILE . 44.9 mtm-85 -60.11 -38.82 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.715 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.774 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.51 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 1.5 tt0 -61.4 -38.68 87.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.93 -37.38 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 111.324 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 658' ' ' ILE . 0.6 OUTLIER -63.97 -41.13 97.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.531 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 651' ' ' LEU . 1.5 t -71.13 -39.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.028 0.442 . . . . 0.0 111.217 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -65.98 -37.69 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.12 -47.17 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' B' ' 659' ' ' LYS . 8.7 tt -68.95 -31.04 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.701 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.591 ' HA ' HD12 ' C' ' 658' ' ' ILE . 10.2 tptt -64.19 -47.11 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.23 -42.95 92.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.16 79.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.354 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.565 HD22 HG13 ' C' ' 658' ' ' ILE . 0.8 OUTLIER -63.02 -42.61 99.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.567 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -20.97 37.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.2 m -71.2 -41.43 70.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.88 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.71 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.95 82.73 2.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.936 0.398 . . . . 0.0 110.684 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 5.2 mtp -152.36 111.05 3.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.572 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 47.7 mm-40 -58.19 125.23 22.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.751 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.529 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 98.29 7.72 55.73 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.744 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 98.6 51.34 Favored Pre-proline 0 CA--C 1.531 0.234 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.4 Cg_endo -85.49 116.17 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.578 2.185 . . . . 0.0 112.992 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 604' ' ' SER . 2.0 ttpt -124.62 114.16 18.99 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.982 0.42 . . . . 0.0 111.462 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.76 77.56 1.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.554 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.548 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.3 OUTLIER -102.03 -70.0 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.972 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 604' ' ' SER . 66.3 Cg_endo -73.43 118.69 5.6 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.419 2.079 . . . . 0.0 112.389 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.1 131.0 37.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.389 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.716 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -166.78 173.59 9.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.361 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.582 ' HB2' ' CD ' ' C' ' 601' ' ' PRO . 1.2 m -54.73 -42.45 71.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t -64.12 -38.53 91.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.92 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.96 -24.45 59.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -63.42 -41.51 98.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -61.17 -39.02 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.367 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.42 -33.88 66.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.611 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.445 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 3.8 mm-40 -62.68 -43.6 98.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.208 0.528 . . . . 0.0 111.788 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.546 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.4 OUTLIER -65.6 -43.48 89.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.523 179.39 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.965 HD21 ' HA ' ' C' ' 613' ' ' ARG . 12.5 mt -59.66 -43.04 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.977 ' HA ' HD21 ' A' ' 612' ' ' LEU . 25.4 ttm180 -57.88 -35.74 71.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.97 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -42.47 81.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.649 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.75 -30.02 65.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.759 HG21 HD22 ' A' ' 612' ' ' LEU . 74.1 t -66.77 -46.3 85.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -45.61 90.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.35 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -29.76 70.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' B' ' 622' ' ' ILE . 13.6 mt -63.97 -48.35 76.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' B' ' 623' ' ' ILE . 2.7 ttm180 -57.85 -51.35 69.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 65.3 p -61.11 -23.77 65.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.671 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' B' ' 619' ' ' LEU . 2.1 mt -68.35 -50.67 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.594 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.66 -36.49 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.224 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.11 -44.77 91.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.042 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.566 ' SD ' HG22 ' C' ' 623' ' ' ILE . 39.5 mtt -67.62 -30.7 70.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.514 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 4.4 tmtm? -69.13 -42.71 75.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.15 -38.55 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -64.33 -44.03 92.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.749 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.418 ' HB2' HE21 ' B' ' 630' ' ' GLN . 0.0 OUTLIER -69.76 -35.72 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.921 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -44.84 93.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -43.86 97.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.017 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.537 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.4 mm-40 -61.5 -44.06 97.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.047 0.451 . . . . 0.0 111.873 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.544 HG23 HD12 ' A' ' 637' ' ' LEU . 90.4 mt -64.27 -38.67 83.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.72 ' HA ' ' HE3' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -62.13 -46.47 88.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.924 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.599 HD23 HD12 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.14 -42.93 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.714 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.1 -46.75 85.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 50.8 p -63.59 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.718 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.081 0.467 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.9 OUTLIER -66.26 -38.32 87.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.766 179.539 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.9 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.515 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.582 ' O ' HD12 ' B' ' 647' ' ' ILE . 31.9 tt0 -58.65 -47.21 85.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.207 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.433 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -59.16 -40.39 85.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.906 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.449 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 5.8 mttt -61.97 -42.95 99.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 19.6 mtmm -59.31 -47.06 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.242 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.582 HD12 ' O ' ' B' ' 643' ' ' GLU . 3.6 mt -67.38 -33.87 65.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.063 0.459 . . . . 0.0 111.169 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.502 ' NH2' HD13 ' A' ' 647' ' ' ILE . 0.8 OUTLIER -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' B' ' 646' ' ' LYS . 11.2 mt -57.45 -46.95 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.488 HH21 HG13 ' B' ' 647' ' ' ILE . 44.8 mtm-85 -60.07 -38.9 84.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.769 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.2 -45.1 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.492 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.5 tt0 -61.44 -38.65 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.134 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.98 -37.34 84.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.288 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.448 ' O ' HG22 ' B' ' 658' ' ' ILE . 0.6 OUTLIER -63.95 -41.21 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.549 179.564 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 651' ' ' LEU . 1.5 t -70.99 -39.1 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.174 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -65.97 -37.67 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.14 -47.04 69.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' C' ' 659' ' ' LYS . 8.7 tt -69.02 -31.04 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.658 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 658' ' ' ILE . 10.2 tptt -64.23 -47.06 81.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.26 -42.85 92.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.11 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.389 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.554 HD22 HG13 ' A' ' 658' ' ' ILE . 0.8 OUTLIER -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -21.04 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.9 m -71.08 -41.46 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.862 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.716 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.98 82.71 2.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 0.0 110.675 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 5.2 mtp -152.32 111.1 3.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.565 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.445 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 47.6 mm-40 -58.17 125.2 22.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.673 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.546 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 98.26 7.88 55.61 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.751 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 98.58 51.25 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 91.4 Cg_endo -85.53 116.19 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.552 2.168 . . . . 0.0 112.983 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.494 ' HE2' ' HA ' ' B' ' 604' ' ' SER . 2.0 ttpt -124.69 114.13 18.91 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.081 0.467 . . . . 0.0 111.446 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.71 77.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.567 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.3 OUTLIER -102.0 -69.95 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.997 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.582 ' CD ' ' HB2' ' B' ' 604' ' ' SER . 66.9 Cg_endo -73.52 118.69 5.59 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.388 2.059 . . . . 0.0 112.406 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.08 131.02 37.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.398 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.71 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -166.78 173.6 9.38 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.38 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.596 ' HB2' ' CD ' ' A' ' 601' ' ' PRO . 1.2 m -54.75 -42.46 71.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t -64.07 -38.58 91.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.85 -24.53 59.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -63.4 -41.48 98.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.578 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -61.25 -38.95 88.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.395 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.45 -33.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 3.8 mm-40 -62.64 -43.67 98.22 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.101 0.477 . . . . 0.0 111.753 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.555 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.4 OUTLIER -65.53 -43.6 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.426 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.95 HD21 ' HA ' ' A' ' 613' ' ' ARG . 12.5 mt -59.69 -42.99 94.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.965 ' HA ' HD21 ' B' ' 612' ' ' LEU . 25.5 ttm180 -57.85 -35.76 71.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.024 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.54 81.38 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.646 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.76 -30.01 65.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.142 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 612' ' ' LEU . 73.9 t -66.7 -46.31 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.184 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.25 -45.74 90.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.3 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -29.75 70.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.499 ' O ' ' HB ' ' C' ' 622' ' ' ILE . 13.6 mt -63.98 -48.34 76.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.008 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.602 ' HA ' HD12 ' C' ' 623' ' ' ILE . 2.8 ttm180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 65.1 p -61.15 -23.85 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' C' ' 619' ' ' LEU . 2.2 mt -68.26 -50.68 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.655 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.58 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.249 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.15 -44.71 91.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 8.8 p -64.6 -43.32 94.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.037 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.573 ' SD ' HG22 ' A' ' 623' ' ' ILE . 39.5 mtt -67.69 -30.62 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.507 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 4.4 tmtm? -69.22 -42.69 75.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.1 -38.55 85.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -64.31 -44.08 92.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.79 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.473 HE21 ' HB2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -69.74 -35.72 75.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -44.8 93.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.011 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.546 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.4 mm-40 -61.47 -44.06 97.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.901 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.546 HG23 HD12 ' B' ' 637' ' ' LEU . 90.5 mt -64.3 -38.58 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.101 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.722 ' HA ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -62.12 -46.52 88.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -179.548 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.32 -38.06 89.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.627 HD23 HD12 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.2 -42.82 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.16 -46.67 86.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.151 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.72 -32.19 73.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.737 ' HB3' HD13 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.39 89.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.016 0.436 . . . . 0.0 110.839 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.9 OUTLIER -66.27 -38.24 87.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.86 -43.69 98.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.513 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.575 ' O ' HD12 ' C' ' 647' ' ' ILE . 31.7 tt0 -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.446 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -59.21 -40.43 85.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.932 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 5.8 mttt -61.94 -42.96 99.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.717 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 19.6 mtmm -59.21 -47.18 86.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.575 HD12 ' O ' ' C' ' 643' ' ' GLU . 3.6 mt -67.21 -33.96 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.101 0.476 . . . . 0.0 111.248 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.506 ' NH2' HD13 ' B' ' 647' ' ' ILE . 0.8 OUTLIER -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' C' ' 646' ' ' LYS . 11.3 mt -57.58 -46.89 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.691 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.491 HH21 HG13 ' C' ' 647' ' ' ILE . 44.7 mtm-85 -60.02 -38.87 83.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.763 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.19 -45.11 95.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.505 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.5 tt0 -61.38 -38.66 87.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.197 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -67.03 -37.33 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.219 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.446 ' O ' HG22 ' C' ' 658' ' ' ILE . 0.6 OUTLIER -64.02 -41.07 97.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.532 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.763 HG23 ' O ' ' C' ' 651' ' ' LEU . 1.5 t -71.13 -39.07 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 111.166 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.02 -37.64 86.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.16 -47.14 68.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.724 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 659' ' ' LYS . 8.7 tt -68.93 -31.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.652 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.589 ' HA ' HD12 ' B' ' 658' ' ' ILE . 10.2 tptt -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.852 0.358 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.24 -42.82 91.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.27 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.305 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.568 HD22 HG13 ' B' ' 658' ' ' ILE . 0.8 OUTLIER -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.606 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -21.0 37.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.3 m -71.19 -41.4 70.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.873 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.532 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -125.34 76.06 1.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.628 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.74 117.4 21.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.586 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 2.4 mm-40 -71.34 122.15 19.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.714 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 109.19 -18.39 30.81 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.717 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 106.59 56.86 Favored Pre-proline 0 CA--C 1.532 0.259 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.591 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 93.6 Cg_endo -85.72 149.37 9.86 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.525 2.15 . . . . 0.0 113.016 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.676 ' HE3' ' HB3' ' C' ' 604' ' ' SER . 2.1 ttpt -145.59 136.43 24.5 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.989 0.424 . . . . 0.0 111.449 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.11 53.89 1.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.575 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.407 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.1 OUTLIER -84.94 -62.25 0.26 Allowed Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.959 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.3 Cg_endo -73.18 109.8 2.91 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.537 2.158 . . . . 0.0 112.404 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -80.58 123.16 27.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.388 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.533 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -157.62 161.66 38.67 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.67 ' HB3' ' HE3' ' B' ' 598' ' ' LYS . 0.1 OUTLIER -60.36 -34.82 74.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.602 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -28.76 70.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.42 -25.1 54.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.508 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -58.91 -41.07 86.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -62.95 -35.07 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.436 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.83 -42.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 1.1 mm-40 -62.0 -44.21 97.2 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 111.799 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.434 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER -57.83 -44.38 86.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.485 179.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.89 HD21 ' HA ' ' B' ' 613' ' ' ARG . 8.5 mt -64.57 -39.3 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.873 ' HA ' HD21 ' C' ' 612' ' ' LEU . 24.9 ttm180 -59.09 -41.39 87.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -43.36 97.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.619 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.784 ' O ' HD12 ' A' ' 619' ' ' LEU . 5.1 tt0 -69.77 -36.22 75.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.051 0.453 . . . . 0.0 111.208 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 612' ' ' LEU . 84.8 t -64.27 -50.03 78.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.92 93.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.31 -38.32 84.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.017 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 615' ' ' GLN . 0.2 OUTLIER -58.11 -46.98 84.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.028 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.522 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.77 79.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -36.19 75.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.55 -42.57 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.556 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 620' ' ' ARG . 9.5 mt -64.77 -36.62 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.197 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.53 -52.78 59.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.272 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.04 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.711 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 27.7 mtt -56.55 -41.6 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.691 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 2.2 tmtm? -65.8 -40.74 92.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -64.89 -39.4 93.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.426 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.99 -43.55 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.423 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -61.16 -43.54 98.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -41.08 98.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.992 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.5 mt-10 -66.05 -41.35 90.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 0.0 111.853 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' C' ' 633' ' ' GLU . 16.2 mt -62.05 -48.06 90.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.139 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.16 -44.71 83.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.459 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -60.32 -44.68 95.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.004 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.511 HD11 ' HG ' ' B' ' 638' ' ' LEU . 0.3 OUTLIER -60.1 -42.26 94.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' C' ' 637' ' ' LEU . 10.5 mt -61.71 -47.82 83.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.076 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.28 -38.31 79.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -43.25 85.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.006 0.431 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.489 ' N ' HD11 ' B' ' 641' ' ' LEU . 4.5 tt -61.08 -41.87 97.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.786 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -35.35 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.474 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 647' ' ' ILE . 20.2 tt0 -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.199 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.409 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -33.99 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.526 ' O ' ' HG ' ' A' ' 649' ' ' LEU . 9.1 mttt -65.44 -37.15 86.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 649' ' ' LEU . 8.7 mtmm -65.95 -51.04 62.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 643' ' ' GLU . 3.6 mt -60.88 -43.16 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 648' ' ' ARG . 3.3 tmm_? -61.47 -34.83 76.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.054 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 645' ' ' LYS . 47.6 mt -61.69 -45.01 95.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.53 -33.99 77.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.667 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.29 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.22 -36.96 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 12.1 mtm -61.67 -44.73 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.271 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.42 -44.2 95.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.6 t -61.67 -43.54 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -35.35 80.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.79 -48.65 68.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.665 HG13 HD13 ' B' ' 662' ' ' LEU . 10.7 tt -67.19 -30.11 48.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.646 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' C' ' 658' ' ' ILE . 19.8 tptt -70.69 -38.7 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.59 81.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.22 81.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.667 HD13 HG13 ' C' ' 658' ' ' ILE . 2.6 tt -59.73 -35.48 74.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.21 -23.06 47.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m -74.1 -36.81 64.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.533 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -125.37 76.02 1.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.714 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.75 117.43 21.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.568 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 2.4 mm-40 -71.28 122.12 19.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.746 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 109.18 -18.39 30.85 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.754 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.56 106.56 56.87 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.7 Cg_endo -85.64 149.29 9.96 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.59 2.193 . . . . 0.0 113.026 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.67 ' HE3' ' HB3' ' A' ' 604' ' ' SER . 2.1 ttpt -145.54 136.41 24.54 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.04 0.448 . . . . 0.0 111.471 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.07 53.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.566 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.418 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.1 OUTLIER -84.89 -62.29 0.26 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.98 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.4 Cg_endo -73.16 109.8 2.91 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.53 2.153 . . . . 0.0 112.391 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -80.53 123.24 27.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.392 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.532 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -157.71 161.61 38.55 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.329 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.674 ' HB3' ' HE3' ' C' ' 598' ' ' LYS . 0.1 OUTLIER -60.36 -34.77 74.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 -179.597 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -28.78 70.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -25.05 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -58.9 -41.12 86.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.59 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -62.96 -35.06 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.85 -42.16 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.528 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 1.1 mm-40 -62.01 -44.12 97.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.12 0.485 . . . . 0.0 111.842 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.423 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER -57.83 -44.46 86.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.468 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.886 HD21 ' HA ' ' C' ' 613' ' ' ARG . 8.5 mt -64.51 -39.35 93.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.89 ' HA ' HD21 ' A' ' 612' ' ' LEU . 24.8 ttm180 -59.07 -41.41 87.91 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -43.38 97.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.643 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.761 ' O ' HD12 ' B' ' 619' ' ' LEU . 5.1 tt0 -69.68 -36.24 75.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.081 0.467 . . . . 0.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.683 HG23 ' O ' ' B' ' 612' ' ' LEU . 85.0 t -64.25 -50.0 78.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.9 92.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.32 -38.4 84.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.761 HD12 ' O ' ' B' ' 615' ' ' GLN . 0.2 OUTLIER -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.525 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.7 79.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -36.1 75.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.6 -42.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.585 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' B' ' 620' ' ' ARG . 9.6 mt -64.82 -36.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.197 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.67 -52.63 59.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.91 81.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.978 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.704 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 27.7 mtt -56.7 -41.57 77.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.711 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 2.2 tmtm? -65.83 -40.74 92.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.82 -39.45 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -47.68 78.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HG3' ' HE3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -64.02 -43.53 95.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.76 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.426 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -61.1 -43.63 98.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -41.1 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.5 mt-10 -65.97 -41.32 91.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 111.906 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 633' ' ' GLU . 16.1 mt -62.16 -48.07 90.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.025 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.17 -44.65 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.451 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -60.38 -44.66 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' C' ' 638' ' ' LEU . 0.3 OUTLIER -60.05 -42.26 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 637' ' ' LEU . 10.4 mt -61.73 -47.78 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 13.1 p -59.31 -38.24 79.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.775 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -43.24 85.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 641' ' ' LEU . 4.5 tt -61.2 -41.76 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.755 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.47 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.44 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.515 ' O ' HD12 ' B' ' 647' ' ' ILE . 20.0 tt0 -64.32 -43.81 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.249 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.417 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.78 -34.17 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' B' ' 649' ' ' LEU . 9.1 mttt -65.27 -37.15 86.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.492 ' HA ' HD12 ' B' ' 649' ' ' LEU . 8.7 mtmm -66.04 -50.94 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.515 HD12 ' O ' ' B' ' 643' ' ' GLU . 3.6 mt -60.97 -43.15 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 111.196 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -61.43 -34.87 76.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 645' ' ' LYS . 47.4 mt -61.61 -45.07 95.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.45 -34.06 77.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.673 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.27 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.08 -36.99 84.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.178 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.63 -44.76 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.262 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.2 95.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 651' ' ' LEU . 42.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -35.37 80.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.76 68.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.66 HG13 HD13 ' C' ' 662' ' ' LEU . 10.8 tt -67.1 -30.16 48.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.678 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 658' ' ' ILE . 19.8 tptt -70.65 -38.66 73.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -46.59 81.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.29 81.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.665 HD13 HG13 ' A' ' 658' ' ' ILE . 2.7 tt -59.72 -35.43 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.26 -23.08 47.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m -74.09 -36.83 64.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.532 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -125.42 76.1 1.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.593 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.72 117.42 21.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.62 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.528 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 2.4 mm-40 -71.32 122.15 19.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.776 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 109.13 -18.33 31.02 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.775 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.59 106.61 56.85 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 93.1 Cg_endo -85.67 149.35 9.93 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.565 2.176 . . . . 0.0 112.977 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.674 ' HE3' ' HB3' ' B' ' 604' ' ' SER . 2.1 ttpt -145.62 136.41 24.44 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.032 0.444 . . . . 0.0 111.475 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.14 53.89 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.607 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.412 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.1 OUTLIER -84.84 -62.3 0.26 Allowed Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.998 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.8 Cg_endo -73.14 109.9 2.93 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.424 2.083 . . . . 0.0 112.423 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -80.57 123.22 27.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.389 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.532 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -157.68 161.58 38.58 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.311 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.676 ' HB3' ' HE3' ' A' ' 598' ' ' LYS . 0.1 OUTLIER -60.29 -34.73 74.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.298 -179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -28.78 70.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -25.15 54.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -58.82 -41.18 86.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -62.84 -35.13 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.467 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.77 -42.05 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.533 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 1.1 mm-40 -62.13 -44.15 97.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.176 0.513 . . . . 0.0 111.733 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.44 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER -57.83 -44.42 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.448 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' A' ' 613' ' ' ARG . 8.4 mt -64.62 -39.35 93.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.021 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.886 ' HA ' HD21 ' B' ' 612' ' ' LEU . 24.8 ttm180 -59.06 -41.37 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -43.28 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.784 ' O ' HD12 ' C' ' 619' ' ' LEU . 5.1 tt0 -69.8 -36.22 75.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.042 0.448 . . . . 0.0 111.191 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.694 HG23 ' O ' ' C' ' 612' ' ' LEU . 84.8 t -64.32 -50.05 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -38.94 92.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.24 -38.47 85.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.784 HD12 ' O ' ' C' ' 615' ' ' GLN . 0.2 OUTLIER -58.07 -47.03 84.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.526 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -56.34 -43.8 79.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.12 75.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.56 -42.6 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 111.609 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 9.6 mt -64.82 -36.6 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.201 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.57 -52.74 59.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -47.98 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.691 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 27.7 mtt -56.61 -41.62 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.704 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 2.2 tmtm? -65.76 -40.84 92.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.056 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.76 -39.42 93.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -47.57 78.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.425 HE22 ' HG2' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -64.07 -43.52 95.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.419 ' HE3' ' HG3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -61.11 -43.55 98.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -41.08 97.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.022 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.512 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.5 mt-10 -66.09 -41.27 90.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.065 0.46 . . . . 0.0 111.904 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' B' ' 633' ' ' GLU . 16.2 mt -62.09 -48.1 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.15 -44.68 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.4 -44.65 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' A' ' 638' ' ' LEU . 0.3 OUTLIER -60.03 -42.27 94.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 179.606 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' B' ' 637' ' ' LEU . 10.5 mt -61.73 -47.77 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.32 -38.29 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.763 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -43.3 85.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.488 HD11 ' N ' ' B' ' 641' ' ' LEU . 4.5 tt -61.12 -41.8 97.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.778 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.4 80.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.502 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.516 ' O ' HD12 ' C' ' 647' ' ' ILE . 20.1 tt0 -64.34 -43.87 93.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.153 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.415 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.75 -34.19 76.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.89 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.528 ' O ' ' HG ' ' C' ' 649' ' ' LEU . 9.1 mttt -65.3 -37.15 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.488 ' HA ' HD12 ' C' ' 649' ' ' LEU . 8.7 mtmm -66.01 -50.94 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.246 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.516 HD12 ' O ' ' C' ' 643' ' ' GLU . 3.6 mt -60.92 -43.21 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.072 0.463 . . . . 0.0 111.215 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.3 tmm_? -61.44 -34.8 76.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' C' ' 645' ' ' LYS . 47.4 mt -61.69 -44.99 95.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.46 -34.06 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.66 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.25 -43.13 99.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.17 -36.98 84.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.55 -44.79 96.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.337 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.16 95.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.66 HG23 ' O ' ' C' ' 651' ' ' LEU . 42.5 t -61.67 -43.51 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.28 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -35.37 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.81 68.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.667 HG13 HD13 ' A' ' 662' ' ' LEU . 10.8 tt -67.03 -30.17 48.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.695 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' B' ' 658' ' ' ILE . 19.8 tptt -70.66 -38.67 73.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.68 81.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.21 -46.19 81.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.326 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.66 HD13 HG13 ' B' ' 658' ' ' ILE . 2.6 tt -59.84 -35.37 74.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.522 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.27 -23.1 47.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.6 m -74.02 -36.79 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.102 -0.952 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -126.11 63.53 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.937 0.399 . . . . 0.0 110.714 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.83 128.66 41.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.62 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -73.43 125.14 27.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.709 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.575 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 97.77 -12.07 64.4 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.778 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.473 ' O ' ' HB1' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -107.34 95.63 13.97 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.597 -0.149 . . . . 0.0 110.597 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.591 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 94.0 Cg_endo -86.97 166.09 8.49 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.58 2.187 . . . . 0.0 112.984 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' C' ' 608' ' ' ALA . 0.2 OUTLIER -159.43 138.44 11.05 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.068 0.461 . . . . 0.0 111.404 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.47 60.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.599 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.448 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.8 OUTLIER -91.24 -63.95 0.18 Allowed Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.961 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.538 ' CD ' ' HB2' ' C' ' 604' ' ' SER . 67.6 Cg_endo -75.23 121.99 6.82 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.453 2.102 . . . . 0.0 112.385 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.24 116.75 31.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.398 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.696 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -156.7 170.37 22.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.323 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.547 ' HB2' ' CD ' ' B' ' 601' ' ' PRO . 0.9 OUTLIER -53.06 -31.89 44.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -37.89 70.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -33.04 73.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.035 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' B' ' 596' ' ' LYS . . . -62.71 -37.96 88.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -63.46 -41.04 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.419 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.39 -37.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.71 -51.14 70.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.739 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.569 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.5 OUTLIER -54.95 -45.99 74.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.501 179.383 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' B' ' 613' ' ' ARG . 4.5 mt -61.38 -38.27 86.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.097 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.776 ' HA ' HD21 ' C' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.89 85.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.04 88.13 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.646 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.42 -35.64 79.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.999 0.428 . . . . 0.0 111.17 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.732 HG21 HD22 ' C' ' 612' ' ' LEU . 93.3 t -66.53 -47.96 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.6 -41.59 98.3 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.34 -28.48 66.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.856 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -63.56 -40.67 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.623 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.4 OUTLIER -63.21 -38.14 89.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.89 72.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 619' ' ' LEU . 59.0 mt -63.13 -48.18 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.591 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.612 HD11 HD23 ' C' ' 619' ' ' LEU . 2.3 mt -64.0 -37.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.248 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.82 -44.93 88.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 39.1 p -68.76 -48.24 64.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.981 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.426 ' SD ' HG22 ' B' ' 623' ' ' ILE . 3.0 mtt -57.67 -39.72 77.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.92 -36.27 81.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.068 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.18 -43.39 70.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.808 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -33.26 74.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.81 97.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.977 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.508 ' HB3' HG21 ' B' ' 634' ' ' ILE . 5.6 mm-40 -63.79 -47.4 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.044 0.449 . . . . 0.0 111.89 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' C' ' 633' ' ' GLU . 9.9 mt -57.21 -47.1 84.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.113 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.402 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.26 -35.47 79.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.521 HD21 ' HG ' ' B' ' 638' ' ' LEU . 2.2 mt -68.99 -42.39 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.744 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.519 ' HG ' HD21 ' C' ' 637' ' ' LEU . 1.2 mt -61.28 -42.6 98.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.2 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.59 -37.5 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -46.49 88.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -61.97 -40.68 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.739 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 642' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' A' ' 646' ' ' LYS . 0.1 OUTLIER -59.23 -45.56 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.49 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 647' ' ' ILE . 1.3 tt0 -62.53 -37.98 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.216 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.95 92.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.52 -35.47 81.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.574 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 10.2 mtmm -63.06 -57.78 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.275 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 643' ' ' GLU . 2.9 mp -62.29 -34.59 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 0.0 111.157 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -44.0 85.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.033 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.88 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.713 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.86 -29.39 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.699 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.639 HD22 HD22 ' B' ' 651' ' ' LEU . 0.3 OUTLIER -64.47 -48.67 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -37.74 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mtt -64.93 -36.66 85.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.265 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.416 ' HB3' HG11 ' B' ' 655' ' ' VAL . 7.0 tt0 -66.29 -47.36 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.511 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.5 t -59.83 -38.62 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.203 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.54 -49.33 73.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.727 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' B' ' 659' ' ' LYS . 16.3 tt -67.23 -32.55 58.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.662 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' C' ' 658' ' ' ILE . 2.6 tptt -60.79 -49.6 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.861 0.362 . . . . 0.0 111.088 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.54 -42.35 78.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.43 75.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.387 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.485 HD12 HD12 ' B' ' 662' ' ' LEU . 0.8 OUTLIER -69.98 -35.87 74.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -86.8 -16.69 35.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -51.49 24.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.058 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.696 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -126.1 63.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.641 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.78 128.7 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.611 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -73.45 125.12 27.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.736 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.569 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 97.82 -12.12 64.31 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.765 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.475 ' O ' ' HB1' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -107.34 95.68 14.07 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.609 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.2 Cg_endo -86.92 166.05 8.58 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.603 2.202 . . . . 0.0 112.999 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 608' ' ' ALA . 0.2 OUTLIER -159.37 138.43 11.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.037 0.446 . . . . 0.0 111.437 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.45 59.92 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.633 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.439 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.8 OUTLIER -91.16 -63.94 0.18 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.003 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.547 ' CD ' ' HB2' ' A' ' 604' ' ' SER . 67.2 Cg_endo -75.21 121.96 6.82 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.47 2.113 . . . . 0.0 112.398 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.23 116.75 31.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.368 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.695 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -156.69 170.34 22.64 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.326 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.546 ' HB2' ' CD ' ' C' ' 601' ' ' PRO . 0.9 OUTLIER -53.12 -31.89 44.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -38.01 70.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.97 72.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' C' ' 596' ' ' LYS . . . -62.75 -37.97 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -63.36 -41.16 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.417 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.32 -37.66 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.569 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.58 -51.18 70.49 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.183 0.516 . . . . 0.0 111.771 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.573 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.5 OUTLIER -55.05 -45.88 75.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.485 179.472 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' C' ' 613' ' ' ARG . 4.5 mt -61.4 -38.27 86.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.796 0.331 . . . . 0.0 111.087 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.773 ' HA ' HD21 ' A' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.83 85.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -44.96 88.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.617 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.46 -35.57 79.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.718 HG21 HD22 ' A' ' 612' ' ' LEU . 93.8 t -66.57 -47.91 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.74 -41.5 98.02 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.331 -179.736 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.28 -28.52 66.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -63.67 -40.57 97.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.597 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.4 OUTLIER -63.2 -38.16 90.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.93 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' B' ' 619' ' ' LEU . 59.1 mt -63.1 -48.17 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.584 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.599 HD11 HD23 ' A' ' 619' ' ' LEU . 2.3 mt -64.02 -37.83 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.159 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.79 -45.0 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 39.0 p -68.7 -48.32 64.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.968 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.424 ' SD ' HG22 ' C' ' 623' ' ' ILE . 3.0 mtt -57.53 -39.84 77.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' B' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.33 77.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.98 -36.24 81.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.078 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.16 -43.34 71.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -33.29 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.8 97.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.998 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' C' ' 634' ' ' ILE . 5.5 mm-40 -63.83 -47.32 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 633' ' ' GLU . 9.8 mt -57.25 -47.08 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.138 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.402 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.18 -35.49 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' C' ' 638' ' ' LEU . 2.2 mt -69.01 -42.34 76.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.521 ' HG ' HD21 ' A' ' 637' ' ' LEU . 1.2 mt -61.27 -42.71 99.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.107 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.4 -37.62 87.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -46.44 89.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.03 -40.68 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.766 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 642' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' B' ' 646' ' ' LYS . 0.1 OUTLIER -59.22 -45.55 90.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.507 -179.353 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.591 ' O ' HD12 ' B' ' 647' ' ' ILE . 1.3 tt0 -62.47 -38.04 88.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.264 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -39.0 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -64.58 -35.38 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.7 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 10.2 mtmm -63.25 -57.68 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.591 HD12 ' O ' ' B' ' 643' ' ' GLU . 2.9 mp -62.25 -34.67 65.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.969 0.414 . . . . 0.0 111.156 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -43.98 85.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.89 91.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -63.87 -29.43 70.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.639 HD22 HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.38 -48.71 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.756 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -37.84 76.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.18 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.4 mtt -64.86 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.335 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.404 ' HB3' HG11 ' C' ' 655' ' ' VAL . 7.0 tt0 -66.35 -47.31 73.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.493 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.6 t -59.91 -38.54 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -69.95 -37.39 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.56 -49.19 74.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' C' ' 659' ' ' LYS . 16.3 tt -67.36 -32.48 57.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 658' ' ' ILE . 2.6 tptt -60.85 -49.57 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.55 -42.32 78.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.956 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.54 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.377 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.485 HD12 HD12 ' A' ' 662' ' ' LEU . 0.8 OUTLIER -70.05 -35.85 74.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.571 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -86.87 -16.58 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -51.39 25.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.695 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -126.14 63.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.936 0.398 . . . . 0.0 110.681 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.79 128.62 41.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.611 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -73.43 125.13 27.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.739 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.573 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 97.82 -12.16 64.29 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.781 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.473 ' O ' ' HB1' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -107.29 95.65 13.86 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 92.5 Cg_endo -86.92 166.01 8.58 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.594 2.196 . . . . 0.0 112.995 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' B' ' 608' ' ' ALA . 0.2 OUTLIER -159.32 138.45 11.19 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.987 0.423 . . . . 0.0 111.44 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.44 59.9 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.647 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.449 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.8 OUTLIER -91.17 -63.95 0.18 Allowed Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.975 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' B' ' 604' ' ' SER . 67.3 Cg_endo -75.24 122.04 6.86 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.459 2.106 . . . . 0.0 112.392 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.28 116.76 31.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.361 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.709 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -156.76 170.34 22.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.334 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.538 ' HB2' ' CD ' ' A' ' 601' ' ' PRO . 0.9 OUTLIER -53.04 -31.93 44.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.247 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -37.91 70.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -33.0 73.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 596' ' ' LYS . . . -62.73 -37.97 88.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -63.35 -41.16 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.471 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.36 -37.56 80.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.549 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.66 -51.12 70.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 111.738 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.575 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.5 OUTLIER -55.03 -45.97 75.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.484 179.432 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' A' ' 613' ' ' ARG . 4.5 mt -61.35 -38.35 86.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.089 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.799 ' HA ' HD21 ' B' ' 612' ' ' LEU . 20.1 ttm180 -59.48 -39.88 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.031 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -45.05 87.97 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.619 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.41 -35.63 79.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.03 0.443 . . . . 0.0 111.171 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.719 HG21 HD22 ' B' ' 612' ' ' LEU . 93.2 t -66.61 -47.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -41.56 98.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.36 -28.44 66.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.872 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -63.62 -40.69 97.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.615 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.4 OUTLIER -63.08 -38.26 90.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -31.93 72.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' C' ' 619' ' ' LEU . 59.0 mt -63.16 -48.11 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.615 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.612 HD11 HD23 ' B' ' 619' ' ' LEU . 2.3 mt -64.0 -37.81 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.22 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -64.8 -44.92 88.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.257 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 38.8 p -68.77 -48.29 64.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.423 ' SD ' HG22 ' C' ' 622' ' ' ILE . 3.0 mtt -57.57 -39.8 77.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.0 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.9 -36.27 81.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.19 -43.36 70.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -33.26 74.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -42.92 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.013 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.506 ' HB3' HG21 ' A' ' 634' ' ' ILE . 5.5 mm-40 -63.91 -47.27 81.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 0.0 111.872 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' B' ' 633' ' ' GLU . 9.9 mt -57.31 -47.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.07 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -43.47 98.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.467 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.21 -35.46 78.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.519 HD21 ' HG ' ' A' ' 638' ' ' LEU . 2.2 mt -69.05 -42.4 76.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.711 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.504 ' HG ' HD21 ' B' ' 637' ' ' LEU . 1.2 mt -61.26 -42.67 99.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.163 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.47 -37.51 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -46.51 88.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.558 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.02 -40.53 96.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.772 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 642' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' C' ' 646' ' ' LYS . 0.1 OUTLIER -59.38 -45.5 91.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.476 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.59 ' O ' HD12 ' C' ' 647' ' ' ILE . 1.3 tt0 -62.56 -37.97 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.205 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.96 92.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.49 -35.47 81.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.779 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 10.2 mtmm -63.26 -57.62 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.59 HD12 ' O ' ' C' ' 643' ' ' GLU . 2.9 mp -62.26 -34.71 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -43.96 85.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.83 91.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.95 -29.35 70.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.46 -48.68 74.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.758 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -37.76 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.5 mtt -64.9 -36.7 85.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.404 ' HB3' HG11 ' A' ' 655' ' ' VAL . 7.0 tt0 -66.26 -47.39 73.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.507 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.6 t -59.86 -38.56 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.193 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -69.83 -37.48 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.48 -49.26 74.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 659' ' ' LYS . 16.3 tt -67.34 -32.5 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.531 ' HA ' HD12 ' B' ' 658' ' ' ILE . 2.6 tptt -60.88 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.48 -42.47 78.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.44 75.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.337 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.482 HD12 HD12 ' B' ' 662' ' ' LEU . 0.8 OUTLIER -69.97 -35.97 74.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.536 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -86.81 -16.67 35.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -51.53 24.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.992 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -129.01 21.57 5.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.989 0.423 . . . . 0.0 110.698 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.21 123.61 47.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.565 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.561 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 6.7 mm-40 -69.96 143.14 52.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.728 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 83.61 -4.07 83.16 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.738 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 92.73 42.64 Favored Pre-proline 0 CA--C 1.531 0.238 0 O-C-N 122.972 -0.134 . . . . 0.0 110.684 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.406 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.8 Cg_endo -86.21 161.91 9.95 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.594 2.196 . . . . 0.0 112.992 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.573 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 5.0 mtpt -158.9 127.38 5.25 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.029 0.442 . . . . 0.0 111.518 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.49 94.22 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.543 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.3 OUTLIER -123.26 -65.8 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.026 179.833 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.543 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.4 Cg_endo -72.89 127.29 12.08 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.433 2.088 . . . . 0.0 112.413 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.96 124.61 44.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.394 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.725 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -158.8 166.44 31.93 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.4 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.414 ' HA ' ' HE2' ' B' ' 598' ' ' LYS . 0.5 OUTLIER -52.69 -44.49 66.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -38.34 84.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.862 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.67 -35.65 81.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -60.66 -34.73 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.73 81.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.428 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.86 -31.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 0.8 OUTLIER -62.28 -48.2 80.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.143 0.497 . . . . 0.0 111.743 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -60.18 -39.51 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.444 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' B' ' 613' ' ' ARG . 3.0 mt -64.34 -37.52 87.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.081 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.651 ' HA ' HD21 ' C' ' 612' ' ' LEU . 10.8 ttm180 -64.4 -37.04 86.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.997 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.52 69.03 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.7 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.438 ' HG2' ' CG1' ' B' ' 616' ' ' VAL . 3.0 tt0 -63.73 -38.38 90.88 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.189 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 612' ' ' LEU . 75.8 t -66.66 -45.22 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -49.98 75.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.366 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.638 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.1 mt-10 -65.48 -29.26 69.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.551 ' HB3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -61.07 -50.2 74.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.01 76.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.986 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.605 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 618' ' ' GLU . 96.8 mt -62.43 -49.55 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.631 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.529 HG22 ' SD ' ' C' ' 626' ' ' MET . 5.4 mt -62.52 -35.3 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.41 -45.73 75.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.0 p -68.32 -43.09 78.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.57 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 54.3 mtt -65.3 -36.21 83.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.571 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.19 99.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.64 -34.21 76.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.05 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.55 -46.75 75.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.452 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.0 OUTLIER -66.56 -36.6 83.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.585 ' HA ' HD12 ' A' ' 634' ' ' ILE . 2.5 mmpt? -65.42 -41.53 93.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.06 93.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.992 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.596 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.3 mm-40 -62.46 -39.69 94.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 111.823 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.597 HG21 ' HB3' ' C' ' 633' ' ' GLU . 32.4 mt -62.66 -40.57 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.058 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.489 ' HE3' ' N ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -61.58 -41.43 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 -179.494 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.46 -38.19 90.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.005 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' B' ' 638' ' ' LEU . 14.2 mt -67.95 -41.84 81.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.577 ' HG ' HD21 ' C' ' 637' ' ' LEU . 4.3 mt -63.1 -41.95 99.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.91 93.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -40.37 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.023 0.44 . . . . 0.0 110.908 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.503 ' HA ' HD21 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -66.78 -42.92 85.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.807 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -40.15 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.414 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.12 -32.46 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.275 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.682 ' HG2' ' HD3' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.74 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.879 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.669 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 3.6 mmtt -71.03 -37.86 72.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.694 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 10.2 mtmm -64.2 -50.05 69.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.0 mt -64.16 -38.94 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 121.04 0.448 . . . . 0.0 111.16 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.615 ' HD3' ' HA ' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.8 -45.88 92.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -41.53 80.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 2.5 mtm-85 -60.86 -33.69 73.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.702 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -63.46 -49.21 74.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.512 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 0.2 OUTLIER -61.75 -39.04 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.163 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.78 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.304 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.28 -43.84 96.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.52 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 651' ' ' LEU . 46.2 t -57.49 -46.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' ASN . . . . . 0.4 ' O ' ' HD2' ' A' ' 660' ' ' LYS . 58.1 m-20 -63.31 -29.22 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.6 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.774 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.639 ' CG1' HD13 ' B' ' 662' ' ' LEU . 5.6 tt -64.51 -26.82 41.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.656 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.539 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 5.4 tptt -69.1 -40.74 78.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 656' ' ' ASN . 0.1 OUTLIER -62.32 -41.62 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.932 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.81 69.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.303 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.79 85.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -83.58 -20.55 33.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.17 -56.31 9.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.725 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -128.97 21.53 5.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 110.69 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.22 123.62 47.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.569 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.57 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 6.8 mm-40 -70.02 143.19 52.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.716 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 83.61 -4.08 83.13 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.788 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.85 92.66 42.27 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.658 -0.127 . . . . 0.0 110.658 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.417 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 92.8 Cg_endo -86.24 161.97 9.91 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.566 2.178 . . . . 0.0 113.012 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 5.0 mtpt -158.98 127.4 5.21 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.084 0.468 . . . . 0.0 111.465 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.5 94.28 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.556 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.3 OUTLIER -123.3 -65.86 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.972 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.556 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.8 Cg_endo -72.85 127.35 12.16 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.426 2.084 . . . . 0.0 112.399 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -99.08 124.59 44.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.403 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -158.84 166.46 31.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.369 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.425 ' HA ' ' HE2' ' C' ' 598' ' ' LYS . 0.5 OUTLIER -52.67 -44.5 66.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.267 -179.691 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -38.45 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.54 -35.7 81.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -60.65 -34.64 74.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.8 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.85 -31.63 51.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.574 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 0.8 OUTLIER -62.31 -48.07 81.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.159 0.504 . . . . 0.0 111.839 179.562 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -60.32 -39.47 87.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 179.414 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.634 HD21 ' HA ' ' C' ' 613' ' ' ARG . 3.0 mt -64.26 -37.54 87.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.647 ' HA ' HD21 ' A' ' 612' ' ' LEU . 10.8 ttm180 -64.4 -37.03 86.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.56 68.9 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.634 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.441 ' HG2' ' CG1' ' C' ' 616' ' ' VAL . 3.0 tt0 -63.74 -38.43 91.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 612' ' ' LEU . 75.5 t -66.63 -45.11 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -50.01 75.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.313 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.633 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.1 mt-10 -65.43 -29.29 69.96 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.945 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -61.14 -50.11 74.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.802 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -39.02 76.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 28.9 t -67.49 -32.89 74.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 618' ' ' GLU . 96.8 mt -62.45 -49.51 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.598 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.522 HG22 ' SD ' ' A' ' 626' ' ' MET . 5.5 mt -62.54 -35.44 70.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.164 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.29 -45.78 75.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 14.9 p -68.26 -43.11 78.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.999 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.573 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 54.2 mtt -65.21 -36.21 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.57 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.29 99.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.63 -34.16 76.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.56 -46.77 74.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.804 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.46 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.0 OUTLIER -66.57 -36.63 83.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.752 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' B' ' 634' ' ' ILE . 2.5 mmpt? -65.46 -41.44 93.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.07 93.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.964 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.589 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.3 mm-40 -62.42 -39.66 94.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.075 0.464 . . . . 0.0 111.881 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.596 HG21 ' HB3' ' A' ' 633' ' ' GLU . 32.9 mt -62.77 -40.57 89.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 -179.551 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.574 HD21 ' HG ' ' C' ' 638' ' ' LEU . 14.2 mt -67.9 -41.81 82.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.73 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.548 ' HG ' HD21 ' A' ' 637' ' ' LEU . 4.3 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -43.96 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.752 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -40.38 95.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 641' ' ' LEU . 1.0 OUTLIER -66.84 -42.88 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.777 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.44 -40.15 95.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.494 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.15 -32.47 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.226 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.679 ' HG2' ' HD3' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -70.67 -32.72 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.893 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.682 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 3.6 mmtt -71.01 -37.79 72.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 10.2 mtmm -64.27 -50.06 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.16 -38.93 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 111.187 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.619 ' HA ' ' HD3' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.73 -45.98 92.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.018 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -41.59 80.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 2.5 mtm-85 -60.89 -33.71 73.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.649 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -63.42 -49.21 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.498 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.4 tt0 -61.76 -39.02 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.166 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.76 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.353 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.27 -43.75 97.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.531 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.649 HG23 ' O ' ' B' ' 651' ' ' LEU . 46.4 t -57.63 -46.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.35 -29.12 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -54.51 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.647 ' CG1' HD13 ' C' ' 662' ' ' LEU . 5.6 tt -64.42 -26.9 41.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.663 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.55 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 5.4 tptt -69.06 -40.77 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -41.66 98.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' C' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.8 85.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.64 -20.56 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.15 -56.36 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -128.99 21.58 5.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.379 . . . . 0.0 110.655 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.22 123.63 47.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.588 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 6.8 mm-40 -70.01 143.18 52.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.681 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 83.56 -4.05 83.13 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.765 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 92.72 42.59 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.424 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 91.3 Cg_endo -86.15 161.88 10.04 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.631 2.22 . . . . 0.0 113.027 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.587 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 5.0 mtpt -158.94 127.42 5.24 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.087 0.47 . . . . 0.0 111.484 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.45 94.22 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.545 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.559 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.3 OUTLIER -123.31 -65.81 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.989 179.837 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.559 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.7 Cg_endo -72.85 127.32 12.14 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.413 2.076 . . . . 0.0 112.405 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.99 124.59 44.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.383 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.732 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -158.84 166.46 31.85 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.347 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.418 ' HA ' ' HE2' ' A' ' 598' ' ' LYS . 0.5 OUTLIER -52.73 -44.48 66.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -38.39 84.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.61 -35.65 81.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -60.63 -34.75 74.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.61 -35.76 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.394 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.406 ' H ' HG23 ' C' ' 609' ' ' VAL . 2.1 t -68.85 -31.59 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.561 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 0.8 OUTLIER -62.38 -48.12 81.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.153 0.502 . . . . 0.0 111.784 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.423 ' HB3' HH22 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.5 179.416 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.651 HD21 ' HA ' ' A' ' 613' ' ' ARG . 3.0 mt -64.3 -37.49 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 111.126 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.634 ' HA ' HD21 ' B' ' 612' ' ' LEU . 10.8 ttm180 -64.43 -37.06 86.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -48.62 68.78 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.596 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.442 ' HG2' ' CG1' ' A' ' 616' ' ' VAL . 3.0 tt0 -63.66 -38.38 90.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.992 0.425 . . . . 0.0 111.186 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.579 HG23 ' O ' ' C' ' 612' ' ' LEU . 75.1 t -66.65 -45.19 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -50.01 75.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.276 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.645 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.1 mt-10 -65.49 -29.31 69.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.555 ' HB3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -61.11 -50.22 74.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -39.07 76.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.645 HG13 ' O ' ' C' ' 618' ' ' GLU . 96.8 mt -62.45 -49.48 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.645 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.528 HG22 ' SD ' ' B' ' 626' ' ' MET . 5.5 mt -62.63 -35.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.195 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.39 -45.76 75.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.191 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 14.8 p -68.28 -43.13 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.571 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 54.2 mtt -65.19 -36.19 83.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.573 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 0.0 OUTLIER -62.82 -43.36 99.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -67.45 -34.21 76.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -66.63 -46.69 74.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.45 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.0 OUTLIER -66.58 -36.66 83.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' C' ' 634' ' ' ILE . 2.5 mmpt? -65.34 -41.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -41.98 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.018 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.3 mm-40 -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.84 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' B' ' 633' ' ' GLU . 32.4 mt -62.65 -40.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.127 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.486 ' N ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -61.6 -41.45 97.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.473 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.4 -38.27 90.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.0 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.577 HD21 ' HG ' ' A' ' 638' ' ' LEU . 14.2 mt -67.94 -41.8 81.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.754 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.574 ' HG ' HD21 ' B' ' 637' ' ' LEU . 4.3 mt -63.19 -41.91 99.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -43.85 93.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -40.28 95.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.497 ' HA ' HD21 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -66.85 -42.93 84.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.788 179.54 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -40.05 95.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.567 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.22 -32.53 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.186 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.669 ' HG2' ' HD3' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.73 70.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.679 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 3.6 mmtt -70.95 -37.87 72.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 10.2 mtmm -64.23 -50.1 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.08 -39.04 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.022 0.439 . . . . 0.0 111.201 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.619 ' HD3' ' HA ' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.72 -45.88 92.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -41.62 80.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.775 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 2.5 mtm-85 -60.85 -33.83 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.645 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -63.3 -49.27 74.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.785 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.504 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.3 tt0 -61.69 -39.08 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.202 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.73 -43.6 98.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.24 -43.83 96.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.547 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.645 HG23 ' O ' ' C' ' 651' ' ' LEU . 46.2 t -57.52 -46.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 656' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' C' ' 660' ' ' LYS . 8.5 m120 -63.27 -29.22 70.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.65 13.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.752 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.63 ' CG1' HD13 ' A' ' 662' ' ' LEU . 5.6 tt -64.49 -26.76 41.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.656 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.548 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 5.4 tptt -69.17 -40.71 77.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 660' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' C' ' 656' ' ' ASN . 0.1 OUTLIER -62.28 -41.71 98.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.8 69.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.298 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.722 ' CD1' HD12 ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.71 -37.82 85.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -83.54 -20.62 33.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.11 -56.42 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.449 ' CA ' HG23 ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -78.6 134.06 37.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.911 0.386 . . . . 0.0 110.656 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.495 ' HG3' ' OG1' ' B' ' 625' ' ' THR . 1.8 mtp -130.75 134.47 46.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.553 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.82 -35.14 78.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.58 0.229 . . . . 0.0 110.696 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 101.28 -6.86 56.2 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.76 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.567 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 0.9 OUTLIER 51.42 70.38 2.0 Allowed Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -84.31 -19.43 4.54 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.589 2.193 . . . . 0.0 112.994 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.09 41.75 2.04 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.021 0.439 . . . . 0.0 111.4 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.665 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -64.27 -25.37 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.557 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -79.0 142.34 59.82 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.98 164.27 34.87 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.399 2.066 . . . . 0.0 112.418 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 608' ' ' ALA . . . -73.73 152.65 40.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.378 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.36 92.42 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.373 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.557 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 43.2 m -82.96 154.07 24.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -44.7 26.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.879 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.99 -43.02 72.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 604' ' ' SER . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.856 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -62.02 -40.37 95.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.849 HG11 ' HB1' ' C' ' 608' ' ' ALA . 51.6 t -72.9 -34.0 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.57 63.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 111.769 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.27 -39.01 93.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.506 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.5 OUTLIER -67.42 -41.92 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.063 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.516 ' HA ' HD11 ' C' ' 612' ' ' LEU . 3.9 tpp180 -62.29 -41.12 98.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.027 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 38.6 p -67.31 -37.41 83.31 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.475 ' HB3' HG11 ' B' ' 616' ' ' VAL . 1.7 mt-30 -69.44 -41.15 76.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 111.107 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 612' ' ' LEU . 45.8 t -71.08 -40.03 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.648 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.0 OUTLIER -61.78 -49.11 77.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.284 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.456 ' O ' HG13 ' A' ' 622' ' ' ILE . 2.6 mm-40 -64.65 -42.01 95.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' A' ' 622' ' ' ILE . 5.7 tp -59.38 -41.22 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -59.14 -41.63 88.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.76 -34.81 78.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.599 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 619' ' ' LEU . 31.2 mt -69.68 -31.49 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.584 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.775 HD11 HD11 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -67.98 -49.17 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.242 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -61.76 -43.56 98.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 34.9 m -67.84 -40.81 83.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.011 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.586 ' HG3' ' HG3' ' B' ' 627' ' ' LYS . 14.3 ttm -68.2 -38.38 81.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.602 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 9.1 tttt -65.4 -48.69 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -32.81 71.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.076 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 625' ' ' THR . 1.9 mt-30 -65.14 -43.13 92.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.558 ' HG2' ' N ' ' A' ' 631' ' ' LYS . 0.4 OUTLIER -67.8 -36.74 80.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.595 ' O ' HG13 ' A' ' 634' ' ' ILE . 10.5 mttm -68.23 -39.02 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.32 -41.85 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.935 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.41 -51.63 64.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.129 0.49 . . . . 0.0 111.89 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.3 pp -61.58 -36.19 71.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.15 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.507 ' HA ' HD12 ' A' ' 638' ' ' LEU . 2.2 tppp? -62.69 -42.63 99.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.411 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -42.02 91.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.016 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.667 HD23 HD12 ' B' ' 641' ' ' LEU . 1.8 mt -62.06 -41.11 97.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 635' ' ' LYS . 9.7 mt -62.5 -38.83 91.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.462 ' HB3' HD13 ' B' ' 641' ' ' LEU . 7.1 tt0 -65.06 -44.02 90.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.661 HD12 HD23 ' C' ' 637' ' ' LEU . 0.4 OUTLIER -60.66 -37.0 80.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.799 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -38.3 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.578 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.3 -45.45 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.252 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.619 ' HG3' ' HD3' ' B' ' 645' ' ' LYS . 3.2 tt0 -68.38 -22.55 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.941 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.62 ' HD3' ' HG3' ' C' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.28 3.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.716 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.62 -44.38 85.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.539 HD12 HH12 ' A' ' 650' ' ' ARG . 0.5 OUTLIER -64.16 -38.9 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.062 0.458 . . . . 0.0 111.241 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.613 HH12 HD12 ' A' ' 649' ' ' LEU . 7.4 tmm_? -64.98 -41.56 95.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.613 HD12 HH12 ' A' ' 648' ' ' ARG . 0.2 OUTLIER -64.57 -41.41 96.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.539 HH12 HD12 ' A' ' 647' ' ' ILE . 0.4 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.737 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 655' ' ' VAL . 23.0 tp -66.35 -37.66 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.724 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.431 ' HG2' HD22 ' C' ' 651' ' ' LEU . 6.5 mm-40 -57.8 -44.2 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.186 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.29 -44.45 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.84 -47.96 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.489 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 651' ' ' LEU . 20.3 t -58.6 -37.86 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.101 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -45.14 93.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.746 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.749 HG23 HD22 ' B' ' 662' ' ' LEU . 1.3 mt -69.14 -32.28 53.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.642 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.584 ' HG2' HD11 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -68.31 -49.44 60.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.4 93.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.81 76.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.345 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.771 HD22 HG23 ' C' ' 658' ' ' ILE . 0.3 OUTLIER -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.539 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.87 -19.8 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -54.18 7.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.44 ' HA2' HG23 ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -78.58 134.01 37.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.649 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 593' ' ' MET . . . . . 0.493 ' HG3' ' OG1' ' C' ' 625' ' ' THR . 1.8 mtp -130.78 134.45 46.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.567 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.71 -35.18 78.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.76 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 101.26 -6.83 56.24 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.779 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.584 ' HA ' ' HD3' ' C' ' 617' ' ' ARG . 0.9 OUTLIER 51.37 70.35 2.02 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 110.621 -0.14 . . . . 0.0 110.621 179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -84.29 -19.4 4.57 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.596 2.197 . . . . 0.0 113.063 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.14 41.71 2.06 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.059 0.457 . . . . 0.0 111.412 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.646 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -64.17 -25.47 68.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.616 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.95 142.26 59.97 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.963 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.97 164.33 34.77 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.409 2.073 . . . . 0.0 112.395 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 602' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' B' ' 608' ' ' ALA . . . -73.88 152.77 40.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.307 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.44 91.9 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.309 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 43.1 m -82.85 154.08 24.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.9 -44.7 26.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.9 -43.14 72.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' B' ' 604' ' ' SER . . . -66.17 -34.95 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.852 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -62.02 -40.34 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.428 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.856 HG11 ' HB1' ' A' ' 608' ' ' ALA . 51.2 t -72.85 -34.1 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.617 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.54 63.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 111.815 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -39.06 93.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.626 ' O ' HG23 ' B' ' 616' ' ' VAL . 0.5 OUTLIER -67.44 -41.89 84.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 111.14 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.507 ' HA ' HD11 ' A' ' 612' ' ' LEU . 3.9 tpp180 -62.16 -41.31 98.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.43 83.68 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.694 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.476 ' HB3' HG11 ' C' ' 616' ' ' VAL . 1.7 mt-30 -69.4 -41.16 76.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.146 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 612' ' ' LEU . 45.9 t -71.1 -39.97 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.665 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -61.78 -49.14 77.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.299 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' B' ' 622' ' ' ILE . 2.7 mm-40 -64.59 -42.07 95.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.699 ' HA ' HD12 ' B' ' 622' ' ' ILE . 5.7 tp -59.37 -41.18 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -41.66 88.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.63 -34.92 78.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' B' ' 619' ' ' LEU . 31.3 mt -69.64 -31.52 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.556 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.771 HD11 HD11 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -67.99 -49.2 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.319 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 625' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 35.4 m -67.8 -40.83 83.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.032 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.594 ' HG3' ' HG3' ' C' ' 627' ' ' LYS . 14.3 ttm -68.15 -38.42 82.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.586 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 9.2 tttt -65.45 -48.7 71.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.052 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -32.91 71.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.065 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 625' ' ' THR . 1.9 mt-30 -65.16 -43.15 92.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.562 ' HG2' ' N ' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -67.85 -36.65 80.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.593 ' O ' HG13 ' B' ' 634' ' ' ILE . 10.4 mttm -68.19 -39.11 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -66.25 -41.82 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.978 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.53 -51.47 65.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.03 0.443 . . . . 0.0 111.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.593 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.3 pp -61.69 -36.21 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.079 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' B' ' 638' ' ' LEU . 2.2 tppp? -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.491 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -41.95 91.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.654 HD23 HD12 ' C' ' 641' ' ' LEU . 1.8 mt -62.07 -41.29 98.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -62.4 -38.82 91.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -46.84 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' C' ' 641' ' ' LEU . 7.1 tt0 -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.985 0.422 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.667 HD12 HD23 ' A' ' 637' ' ' LEU . 0.4 OUTLIER -60.72 -36.92 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.799 179.561 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -38.23 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.491 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.34 -45.41 91.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.241 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.61 ' HG3' ' HD3' ' C' ' 645' ' ' LYS . 3.2 tt0 -68.39 -22.63 64.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.619 ' HD3' ' HG3' ' A' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.31 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.723 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.57 -44.33 85.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.55 HD12 HH12 ' B' ' 650' ' ' ARG . 0.5 OUTLIER -64.2 -38.95 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.065 0.46 . . . . 0.0 111.186 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.626 HH12 HD12 ' B' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.048 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.626 HD12 HH12 ' B' ' 648' ' ' ARG . 0.2 OUTLIER -64.56 -41.37 96.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.55 HH12 HD12 ' B' ' 647' ' ' ILE . 0.4 OUTLIER -61.33 -42.06 98.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.805 ' O ' HG23 ' B' ' 655' ' ' VAL . 23.1 tp -66.39 -37.62 85.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.423 ' HG2' HD22 ' A' ' 651' ' ' LEU . 6.5 mm-40 -57.82 -44.28 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.141 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.16 -44.51 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.362 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -47.95 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.545 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.805 HG23 ' O ' ' B' ' 651' ' ' LEU . 20.0 t -58.58 -37.79 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 111.22 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.77 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -45.11 93.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.765 HG23 HD22 ' C' ' 662' ' ' LEU . 1.3 mt -69.07 -32.33 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.65 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.604 ' HG2' HD11 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -68.24 -49.41 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 111.109 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -45.45 93.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.86 76.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.749 HD22 HG23 ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.467 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.79 -19.84 36.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -54.18 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.451 ' CA ' HG23 ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -78.6 133.95 37.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 0.0 110.616 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 593' ' ' MET . . . . . 0.486 ' HG3' ' OG1' ' A' ' 625' ' ' THR . 1.8 mtp -130.72 134.54 46.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.581 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.85 -35.12 78.01 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.712 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 101.34 -6.89 56.07 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.727 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.568 ' HA ' ' HD3' ' A' ' 617' ' ' ARG . 0.9 OUTLIER 51.38 70.41 1.98 Allowed Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -84.33 -19.43 4.52 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.578 2.185 . . . . 0.0 113.009 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.402 ' HG3' ' HE ' ' A' ' 617' ' ' ARG . 0.5 OUTLIER -113.02 41.63 2.05 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 111.409 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.648 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -64.2 -25.38 68.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.561 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -79.03 142.33 59.7 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.959 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.0 164.3 34.79 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.472 2.115 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 602' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' C' ' 608' ' ' ALA . . . -73.78 152.65 40.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.383 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.42 92.36 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.038 0.447 . . . . 0.0 111.395 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.569 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 43.4 m -82.96 154.06 24.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.177 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.87 -44.7 26.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.896 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.91 -43.11 72.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' C' ' 604' ' ' SER . . . -66.15 -34.94 79.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.849 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -62.03 -40.41 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.389 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.852 HG11 ' HB1' ' B' ' 608' ' ' ALA . 51.9 t -72.85 -34.12 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.39 -52.44 63.59 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.129 0.49 . . . . 0.0 111.783 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.23 -39.15 93.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.432 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.621 ' O ' HG23 ' C' ' 616' ' ' VAL . 0.5 OUTLIER -67.38 -41.88 84.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.722 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.505 ' HA ' HD11 ' B' ' 612' ' ' LEU . 3.9 tpp180 -62.21 -41.29 98.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.44 83.71 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.69 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.489 ' HB3' HG11 ' A' ' 616' ' ' VAL . 1.7 mt-30 -69.41 -41.18 76.74 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.981 0.42 . . . . 0.0 111.145 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.621 HG23 ' O ' ' C' ' 612' ' ' LEU . 46.1 t -71.07 -40.05 75.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -61.73 -49.16 77.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.333 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.468 ' O ' HG13 ' C' ' 622' ' ' ILE . 2.6 mm-40 -64.59 -42.06 95.84 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' C' ' 622' ' ' ILE . 5.8 tp -59.37 -41.14 88.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.039 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -41.79 88.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.67 -34.78 78.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.602 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' C' ' 619' ' ' LEU . 31.1 mt -69.68 -31.53 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.775 HD11 HD11 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -67.94 -49.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.292 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -61.76 -43.54 98.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 625' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 35.0 m -67.82 -40.85 83.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.035 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.602 ' HG3' ' HG3' ' A' ' 627' ' ' LYS . 14.2 ttm -68.06 -38.45 82.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.594 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 9.1 tttt -65.44 -48.72 71.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -32.88 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' C' ' 625' ' ' THR . 1.9 mt-30 -65.1 -43.13 93.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.572 ' HG2' ' N ' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -67.83 -36.69 80.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.589 ' O ' HG13 ' C' ' 634' ' ' ILE . 10.4 mttm -68.18 -39.11 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.23 -41.82 89.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.008 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.49 -51.52 65.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.858 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.589 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.3 pp -61.64 -36.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.039 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' C' ' 638' ' ' LEU . 2.2 tppp? -62.52 -42.68 99.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.51 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.03 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.96 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 641' ' ' LEU . 1.8 mt -61.99 -41.23 97.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -62.41 -38.87 91.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -46.84 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.777 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.464 ' HB3' HD13 ' A' ' 641' ' ' LEU . 7.1 tt0 -65.0 -43.93 90.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.654 HD12 HD23 ' B' ' 637' ' ' LEU . 0.4 OUTLIER -60.83 -36.89 80.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.769 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -38.17 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.47 -45.31 91.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.208 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.62 ' HG3' ' HD3' ' A' ' 645' ' ' LYS . 3.2 tt0 -68.48 -22.61 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.61 ' HD3' ' HG3' ' B' ' 644' ' ' GLU . 2.8 mmtm -70.36 -58.23 3.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.66 -44.38 85.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.55 HD12 HH12 ' C' ' 650' ' ' ARG . 0.5 OUTLIER -64.14 -39.0 83.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.168 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.596 HH12 HD12 ' C' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.49 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.596 HD12 HH12 ' C' ' 648' ' ' ARG . 0.2 OUTLIER -64.62 -41.37 96.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.735 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.55 HH12 HD12 ' C' ' 647' ' ' ILE . 0.4 OUTLIER -61.27 -42.1 98.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.724 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.795 ' O ' HG23 ' C' ' 655' ' ' VAL . 23.1 tp -66.43 -37.62 85.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.422 ' HG2' HD22 ' B' ' 651' ' ' LEU . 6.5 mm-40 -57.78 -44.23 86.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.23 -44.48 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.294 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -47.93 83.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.491 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.795 HG23 ' O ' ' C' ' 651' ' ' LEU . 20.0 t -58.59 -37.86 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.153 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.79 95.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.771 HG23 HD22 ' A' ' 662' ' ' LEU . 1.3 mt -69.11 -32.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.666 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -68.23 -49.39 61.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.86 76.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.392 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.765 HD22 HG23 ' B' ' 658' ' ' ILE . 0.3 OUTLIER -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.88 -19.86 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -54.16 7.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.501 ' HA3' ' NZ ' ' A' ' 596' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.65 80.03 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 0.0 110.663 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 3.2 ttp -156.22 134.51 11.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.631 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.97 125.83 26.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.753 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.09 -4.66 83.1 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.778 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.501 ' NZ ' ' HA3' ' A' ' 591' ' ' GLY . 0.0 OUTLIER -106.21 99.4 23.34 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 110.591 -0.151 . . . . 0.0 110.591 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.652 ' HB3' HH22 ' A' ' 613' ' ' ARG . 93.2 Cg_endo -86.03 171.27 8.06 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.57 2.18 . . . . 0.0 113.056 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' C' ' 604' ' ' SER . 0.0 OUTLIER -171.17 128.95 0.72 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.046 0.451 . . . . 0.0 111.407 -179.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 12.4 mtt -128.39 97.45 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.553 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.0 OUTLIER -122.76 -69.41 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.954 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.5 Cg_endo -75.22 136.04 19.45 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.471 2.114 . . . . 0.0 112.417 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -102.38 109.95 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.343 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -148.78 167.72 24.85 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.313 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.585 ' HB3' ' HG2' ' B' ' 598' ' ' LYS . 0.0 OUTLIER -53.59 -36.6 62.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 -179.657 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 19.0 t -63.62 -40.43 96.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.976 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 610' ' ' GLU . 0.2 OUTLIER -71.26 -33.35 69.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -60.22 -41.45 93.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.1 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.432 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.83 -35.87 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 606' ' ' GLN . 3.9 mm-40 -62.7 -43.65 98.25 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.162 0.505 . . . . 0.0 111.75 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.486 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.2 OUTLIER -62.99 -42.49 99.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.921 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.4 mt -65.07 -35.8 82.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.111 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.933 ' HA ' HD21 ' C' ' 612' ' ' LEU . 18.3 ttm180 -64.82 -39.93 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -44.05 85.28 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.607 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.34 -41.42 80.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.177 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.561 HG21 HD22 ' C' ' 612' ' ' LEU . 40.0 t -59.71 -44.36 93.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.08 -43.63 98.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.317 -179.655 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.36 -35.3 80.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.772 HD23 HD11 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.93 -43.41 94.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.52 84.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -29.95 68.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.61 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.37 -49.02 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.768 HD11 HD23 ' C' ' 619' ' ' LEU . 1.9 mt -59.38 -43.88 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.84 -45.7 92.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.271 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.66 -42.73 98.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.674 ' SD ' HG22 ' B' ' 623' ' ' ILE . 19.1 mtt -63.8 -37.31 86.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.423 ' HD3' ' NE2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -69.63 -37.49 76.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.49 91.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.82 -50.43 66.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 634' ' ' ILE . 0.7 OUTLIER -63.55 -40.92 98.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.534 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 0.2 OUTLIER -58.18 -44.57 88.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.978 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -36.89 83.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.065 0.46 . . . . 0.0 111.893 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 630' ' ' GLN . 5.6 mt -65.34 -35.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.105 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.425 ' HA ' HD12 ' A' ' 638' ' ' LEU . 9.3 mmtp -64.81 -43.0 94.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.417 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -64.73 -39.38 93.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -42.93 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 635' ' ' LYS . 8.3 mt -63.69 -44.69 92.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.169 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -40.22 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.781 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 642' ' ' ASP . . . . . 0.482 ' O ' ' HE2' ' A' ' 646' ' ' LYS . 0.8 OUTLIER -61.21 -36.74 80.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.544 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -40.28 83.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.289 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -63.25 -37.32 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.87 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.576 ' HA ' ' OE2' ' C' ' 644' ' ' GLU . 10.6 mmtt -62.68 -50.67 70.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.482 ' HE2' ' O ' ' A' ' 642' ' ' ASP . 3.7 mtmm -56.19 -53.91 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 650' ' ' ARG . 7.5 mt -57.9 -40.77 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.063 0.459 . . . . 0.0 111.199 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' C' ' 647' ' ' ILE . 5.0 tmm_? -64.75 -36.22 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.01 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.67 -46.39 85.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.451 ' HD2' ' HA ' ' A' ' 647' ' ' ILE . 5.3 mtt180 -63.3 -31.32 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -62.34 -51.34 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.509 ' HA ' HD21 ' C' ' 651' ' ' LEU . 3.1 tt0 -59.34 -35.38 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.209 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.23 -43.92 93.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.343 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 658' ' ' ILE . 4.6 tt0 -62.47 -42.36 99.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 651' ' ' LEU . 28.3 t -63.59 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.58 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.59 64.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.757 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 659' ' ' LYS . 8.5 tt -65.21 -36.41 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.636 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' C' ' 658' ' ' ILE . 2.2 tptt -60.81 -43.51 98.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.814 0.34 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -45.17 89.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.64 81.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.331 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.484 ' HA ' ' HD3' ' A' ' 665' ' ' LYS . 0.0 OUTLIER -72.19 -29.14 63.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -28.06 38.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m -75.44 -43.13 51.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.067 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.496 ' HA3' ' NZ ' ' B' ' 596' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.71 79.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.969 0.414 . . . . 0.0 110.673 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 3.2 ttp -156.23 134.59 11.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.54 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.04 125.9 26.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.718 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.09 -4.68 83.11 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.8 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.496 ' NZ ' ' HA3' ' B' ' 591' ' ' GLY . 0.0 OUTLIER -106.18 99.41 23.3 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 110.676 -0.12 . . . . 0.0 110.676 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.657 ' HB3' HH22 ' B' ' 613' ' ' ARG . 92.9 Cg_endo -86.03 171.29 8.07 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.546 2.164 . . . . 0.0 112.997 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.585 ' HG2' ' HB3' ' A' ' 604' ' ' SER . 0.0 OUTLIER -171.18 128.98 0.72 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.038 0.447 . . . . 0.0 111.417 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 12.4 mtt -128.39 97.39 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.595 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.547 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.0 OUTLIER -122.67 -69.37 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.25 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.994 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.0 Cg_endo -75.3 136.08 19.35 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.414 2.076 . . . . 0.0 112.398 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -102.33 110.01 21.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.338 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -148.82 167.66 25.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.569 ' HB3' ' HG2' ' C' ' 598' ' ' LYS . 0.0 OUTLIER -53.55 -36.52 61.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 18.8 t -63.73 -40.45 96.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' B' ' 610' ' ' GLU . 0.2 OUTLIER -71.25 -33.24 69.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' C' ' 591' ' ' GLY . . . -60.29 -41.44 93.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.24 84.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.82 -35.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 606' ' ' GLN . 3.9 mm-40 -62.63 -43.65 98.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.253 0.549 . . . . 0.0 111.782 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.488 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.2 OUTLIER -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.447 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.953 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.4 mt -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.921 ' HA ' HD21 ' A' ' 612' ' ' LEU . 18.3 ttm180 -64.79 -40.02 94.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.06 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -44.05 85.71 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.671 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.29 -41.57 80.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.02 0.438 . . . . 0.0 111.163 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.552 HG21 HD22 ' A' ' 612' ' ' LEU . 40.1 t -59.64 -44.3 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.12 -43.59 97.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.311 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.39 -35.26 80.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.747 HD23 HD11 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -60.04 -43.32 95.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.603 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.56 84.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -30.08 69.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 8.6 mt -65.23 -49.14 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.772 HD11 HD23 ' A' ' 619' ' ' LEU . 1.9 mt -59.25 -43.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.243 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.9 -45.74 92.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -42.78 98.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.665 ' SD ' HG22 ' C' ' 623' ' ' ILE . 19.2 mtt -63.72 -37.32 86.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.415 ' HD3' ' NE2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -69.53 -37.59 77.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.077 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.45 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.77 -50.52 66.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.439 ' O ' HD12 ' B' ' 634' ' ' ILE . 0.7 OUTLIER -63.51 -40.91 98.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 0.2 OUTLIER -58.06 -44.62 87.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.945 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -36.87 83.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 111.887 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.439 HD12 ' O ' ' B' ' 630' ' ' GLN . 5.6 mt -65.31 -35.51 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.057 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' B' ' 638' ' ' LEU . 9.3 mmtp -64.67 -43.12 94.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.58 -39.45 93.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.26 -43.0 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.718 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 635' ' ' LYS . 8.3 mt -63.61 -44.7 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -43.24 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.7 -43.5 97.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.787 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HE2' ' B' ' 646' ' ' LYS . 0.8 OUTLIER -61.13 -36.79 80.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.541 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -40.3 83.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.254 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.561 ' OE2' ' HA ' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -63.18 -37.34 86.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.578 ' HA ' ' OE2' ' A' ' 644' ' ' GLU . 10.6 mmtt -62.72 -50.63 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' B' ' 642' ' ' ASP . 3.7 mtmm -56.34 -53.72 53.98 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.453 HG22 ' HD3' ' C' ' 648' ' ' ARG . 7.5 mt -57.9 -40.89 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 121.103 0.477 . . . . 0.0 111.202 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 647' ' ' ILE . 5.0 tmm_? -64.6 -36.28 83.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.097 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.57 -46.47 85.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.733 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' B' ' 647' ' ' ILE . 5.3 mtt180 -63.27 -31.28 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.53 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -62.47 -51.29 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.503 ' HA ' HD21 ' A' ' 651' ' ' LEU . 3.1 tt0 -59.41 -35.3 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.152 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.32 -43.99 92.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.27 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.43 ' O ' HG22 ' B' ' 658' ' ' ILE . 4.6 tt0 -62.33 -42.43 99.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.533 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 651' ' ' LEU . 27.4 t -63.49 -38.89 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 111.266 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -71.44 -34.35 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -50.58 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' C' ' 659' ' ' LYS . 8.5 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.637 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' ' 658' ' ' ILE . 2.2 tptt -60.68 -43.6 97.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.772 0.32 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -45.18 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.65 81.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.297 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' B' ' 665' ' ' LYS . 0.0 OUTLIER -72.14 -29.12 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.561 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -28.01 38.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.3 m -75.37 -43.18 51.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.503 ' HA3' ' NZ ' ' C' ' 596' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 80.08 1.77 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.922 0.391 . . . . 0.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 3.2 ttp -156.3 134.54 11.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.578 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.09 125.9 26.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.656 0.265 . . . . 0.0 110.692 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.11 -4.71 83.09 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.806 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.503 ' NZ ' ' HA3' ' C' ' 591' ' ' GLY . 0.0 OUTLIER -106.2 99.43 23.47 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.644 ' HB3' HH22 ' C' ' 613' ' ' ARG . 93.0 Cg_endo -86.09 171.27 8.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.555 2.17 . . . . 0.0 113.025 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' B' ' 604' ' ' SER . 0.0 OUTLIER -171.17 128.94 0.72 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.031 0.443 . . . . 0.0 111.398 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 12.4 mtt -128.37 97.45 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.554 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.0 OUTLIER -122.74 -69.38 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.012 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.8 Cg_endo -75.22 136.03 19.45 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.445 2.097 . . . . 0.0 112.376 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -102.32 110.07 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.411 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -148.84 167.62 25.17 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.353 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.569 ' HB3' ' HG2' ' A' ' 598' ' ' LYS . 0.0 OUTLIER -53.52 -36.58 61.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 -179.66 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 18.6 t -63.63 -40.48 96.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' C' ' 610' ' ' GLU . 0.2 OUTLIER -71.27 -33.2 69.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -60.31 -41.44 93.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.11 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.85 -35.8 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' C' ' 606' ' ' GLN . 3.9 mm-40 -62.73 -43.63 98.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.483 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.2 OUTLIER -63.09 -42.43 99.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.398 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.4 mt -65.09 -35.82 82.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.953 ' HA ' HD21 ' B' ' 612' ' ' LEU . 18.3 ttm180 -64.83 -39.91 94.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -44.08 85.2 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.598 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.27 -41.53 80.93 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.056 0.455 . . . . 0.0 111.135 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.563 HG21 HD22 ' B' ' 612' ' ' LEU . 39.8 t -59.79 -44.3 93.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.07 -43.6 98.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.339 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.34 -35.34 80.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.768 HD23 HD11 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.015 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -58.88 -40.5 84.55 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -30.02 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.561 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.3 -49.0 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.025 0.441 . . . . 0.0 111.612 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.747 HD11 HD23 ' B' ' 619' ' ' LEU . 1.9 mt -59.39 -43.96 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.196 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.83 -45.68 92.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.7 -42.74 97.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.662 ' SD ' HG22 ' A' ' 623' ' ' ILE . 19.2 mtt -63.76 -37.34 87.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.413 ' HD3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -69.57 -37.49 77.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -65.76 -39.45 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.997 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.83 -50.49 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.758 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.436 ' O ' HD12 ' C' ' 634' ' ' ILE . 0.7 OUTLIER -63.48 -40.93 98.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.966 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.54 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 0.2 OUTLIER -58.09 -44.63 87.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -36.84 83.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.851 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.436 HD12 ' O ' ' C' ' 630' ' ' GLN . 5.6 mt -65.38 -35.47 75.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.068 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' C' ' 638' ' ' LEU . 9.3 mmtp -64.66 -43.02 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.448 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.73 -39.49 93.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.22 -43.01 99.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.796 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' C' ' 635' ' ' LYS . 8.3 mt -63.58 -44.66 93.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.784 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.67 -43.54 97.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.993 0.425 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -40.18 96.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.752 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 642' ' ' ASP . . . . . 0.486 ' O ' ' HE2' ' C' ' 646' ' ' LYS . 0.8 OUTLIER -61.24 -36.76 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.488 -179.322 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.246 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -63.2 -37.33 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.561 ' HA ' ' OE2' ' B' ' 644' ' ' GLU . 10.6 mmtt -62.67 -50.64 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' C' ' 642' ' ' ASP . 3.7 mtmm -56.36 -53.69 54.42 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.267 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.449 HG22 ' HD3' ' A' ' 648' ' ' ARG . 7.5 mt -57.94 -40.9 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 121.04 0.448 . . . . 0.0 111.117 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.453 ' HD3' HG22 ' B' ' 647' ' ' ILE . 5.0 tmm_? -64.68 -36.21 83.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.018 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.64 -46.44 85.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' C' ' 650' ' ' ARG . 5.3 mtt180 -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.704 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.527 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -62.42 -51.31 68.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.496 ' HA ' HD21 ' B' ' 651' ' ' LEU . 3.1 tt0 -59.43 -35.32 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.255 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.22 -43.99 93.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.283 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.421 ' O ' HG22 ' C' ' 658' ' ' ILE . 4.6 tt0 -62.45 -42.33 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.527 HG23 ' O ' ' C' ' 651' ' ' LEU . 27.6 t -63.54 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.57 -34.24 69.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.51 64.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 659' ' ' LYS . 8.5 tt -65.33 -36.32 77.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.681 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' B' ' 658' ' ' ILE . 2.2 tptt -60.72 -43.59 97.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.836 0.35 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.27 89.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.66 81.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.304 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 0.0 OUTLIER -72.16 -29.04 63.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.93 37.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m -75.54 -42.98 51.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.591 -0.203 . . . . 0.0 112.591 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.479 ' HB2' ' OD2' ' B' ' 628' ' ' ASP . 46.0 m170 -76.82 170.84 15.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 110.578 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.51 148.59 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.58 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.49 ' H ' ' HA ' ' B' ' 621' ' ' SER . 0.3 OUTLIER -60.46 -44.53 95.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.749 -179.809 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.33 -19.07 32.34 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.806 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.593 ' HG3' ' HB3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER 49.84 68.62 3.28 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.82 -17.09 3.33 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.636 2.224 . . . . 0.0 112.937 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.82 66.63 1.54 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.024 0.44 . . . . 0.0 111.455 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.426 ' HG2' HG22 ' B' ' 614' ' ' THR . 1.4 mtt -69.76 -27.53 65.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.8 140.6 21.35 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.997 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -73.59 175.05 11.21 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.477 2.118 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -75.02 169.11 18.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.398 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.91 -34.15 76.83 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.372 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.626 ' HB3' ' HB3' ' A' ' 607' ' ' ALA . 6.3 t -77.76 130.18 36.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.793 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.2 p -70.76 -35.79 72.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -46.94 42.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.626 ' HB3' ' HB3' ' A' ' 604' ' ' SER . . . -62.2 -32.46 73.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.819 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.93 86.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.393 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 605' ' ' SER . 5.8 t -66.46 -44.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -45.98 84.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.192 0.52 . . . . 0.0 111.8 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.85 -32.02 73.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.42 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -66.79 -46.06 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 111.148 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.41 -44.59 92.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 618' ' ' GLU . 64.7 p -67.42 -32.83 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.605 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.791 ' HB3' HG11 ' B' ' 616' ' ' VAL . 1.8 mt-30 -62.75 -54.26 41.89 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.802 HG11 ' HB3' ' C' ' 615' ' ' GLN . 3.1 t -66.96 -33.17 61.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.585 ' HB3' ' HG3' ' C' ' 596' ' ' LYS . 0.1 OUTLIER -63.78 -53.13 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 -179.722 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 614' ' ' THR . 76.4 mt-10 -64.76 -41.99 95.48 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 623' ' ' ILE . 10.2 tp -59.7 -40.13 86.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.623 ' HD2' HD22 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.85 -44.94 91.12 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.978 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 621' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' C' ' 594' ' ' GLU . 0.5 OUTLIER -57.11 -41.05 78.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.634 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 619' ' ' LEU . 46.9 mt -64.79 -37.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.611 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 619' ' ' LEU . 0.9 OUTLIER -63.67 -43.25 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.272 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -42.53 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.661 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 24.4 m -63.22 -43.61 97.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.012 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.5 -36.42 71.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.44 20.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 628' ' ' ASP . . . . . 0.557 ' HB3' HH21 ' A' ' 632' ' ' ARG . 26.2 m-20 -66.34 -29.87 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.661 ' HB2' ' O ' ' A' ' 625' ' ' THR . 5.9 tt0 -65.02 -44.19 90.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 627' ' ' LYS . 4.5 pt20 -66.42 -35.88 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 634' ' ' ILE . 15.6 mttm -61.85 -47.69 83.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 632' ' ' ARG . . . . . 0.557 HH21 ' HB3' ' A' ' 628' ' ' ASP . 9.0 mtt180 -67.71 -38.87 84.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.024 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.591 ' HB3' HG21 ' B' ' 634' ' ' ILE . 52.3 mt-10 -58.96 -52.92 63.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' C' ' 633' ' ' GLU . 1.7 pp -68.1 -35.23 70.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.125 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.55 -52.81 63.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.448 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.47 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.451 HD23 HD12 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -62.46 -41.51 98.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.607 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.6 -42.37 98.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.811 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.57 -37.17 82.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.008 0.432 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.4 OUTLIER -68.69 -40.23 80.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.768 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.28 -39.31 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 647' ' ' ILE . 2.5 tt0 -65.49 -41.51 93.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.217 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.677 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 4.3 tt0 -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 2.5 mmtt -68.47 -48.1 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -45.03 88.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.263 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 643' ' ' GLU . 4.8 tt -67.08 -36.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.25 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.667 HH11 ' HG3' ' A' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.3 66.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.02 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.434 ' HG ' HH12 ' A' ' 648' ' ' ARG . 0.4 OUTLIER -60.74 -41.07 94.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.736 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 647' ' ' ILE . 19.8 mtp180 -59.0 -45.61 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.655 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 655' ' ' VAL . 8.7 tp -63.06 -31.45 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.667 ' HG3' HH11 ' A' ' 648' ' ' ARG . 2.7 mm-40 -60.33 -41.86 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.27 89.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 111.363 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.471 ' O ' HG13 ' A' ' 658' ' ' ILE . 16.6 tt0 -62.68 -43.95 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 651' ' ' LEU . 81.6 t -57.78 -45.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -38.35 69.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.23 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.741 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 654' ' ' GLU . 0.6 OUTLIER -63.01 -34.89 69.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.699 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.41 ' HD3' ' OE1' ' A' ' 663' ' ' GLN . 0.3 OUTLIER -70.66 -41.27 72.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.048 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -45.65 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.992 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.805 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -71.66 -35.21 70.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.307 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' C' ' 661' ' ' ALA . 1.2 tp -68.03 -31.24 70.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.539 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' GLN . . . . . 0.41 ' OE1' ' HD3' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -80.94 -30.43 35.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.91 -37.5 84.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 592' ' ' HIS . . . . . 0.476 ' HB2' ' OD2' ' C' ' 628' ' ' ASP . 46.1 m170 -76.78 170.9 15.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.5 148.64 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.546 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.481 ' H ' ' HA ' ' C' ' 621' ' ' SER . 0.3 OUTLIER -60.58 -44.47 96.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.731 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.01 32.39 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.747 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.592 ' HG3' ' HB3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER 49.69 68.71 3.21 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -86.92 -16.93 3.3 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.538 2.158 . . . . 0.0 112.952 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.91 66.65 1.54 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.103 0.478 . . . . 0.0 111.494 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.428 ' HG2' HG22 ' C' ' 614' ' ' THR . 1.4 mtt -69.75 -27.54 65.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.82 140.63 21.36 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.031 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -73.57 175.06 11.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.502 2.134 . . . . 0.0 112.412 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -75.07 169.16 18.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.403 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.16 76.9 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.303 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.626 ' HB3' ' HB3' ' B' ' 607' ' ' ALA . 6.3 t -77.73 130.16 36.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.789 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.2 p -70.77 -35.81 72.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -46.94 42.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.626 ' HB3' ' HB3' ' B' ' 604' ' ' SER . . . -62.22 -32.47 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.76 86.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.789 HG23 ' O ' ' B' ' 605' ' ' SER . 5.9 t -66.61 -45.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -46.15 83.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.212 0.53 . . . . 0.0 111.796 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.75 -32.07 73.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 612' ' ' LEU . 0.0 OUTLIER -66.78 -46.13 76.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.25 -44.68 92.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' B' ' 618' ' ' GLU . 64.9 p -67.39 -32.85 74.04 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.608 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.779 ' HB3' HG11 ' C' ' 616' ' ' VAL . 1.8 mt-30 -62.81 -54.13 43.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.018 0.437 . . . . 0.0 111.184 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.791 HG11 ' HB3' ' A' ' 615' ' ' GLN . 3.1 t -67.03 -33.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.593 ' HB3' ' HG3' ' A' ' 596' ' ' LYS . 0.1 OUTLIER -63.77 -53.02 57.44 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.36 -179.758 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 614' ' ' THR . 76.4 mt-10 -64.75 -42.08 95.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.658 ' O ' HD12 ' B' ' 623' ' ' ILE . 10.3 tp -59.68 -40.23 87.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.633 ' HD2' HD22 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.8 -44.97 90.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.49 ' HA ' ' H ' ' A' ' 594' ' ' GLU . 0.5 OUTLIER -57.22 -40.97 78.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' B' ' 619' ' ' LEU . 46.5 mt -64.7 -37.63 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 0.0 111.711 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.658 HD12 ' O ' ' B' ' 619' ' ' LEU . 0.9 OUTLIER -63.81 -43.13 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 624' ' ' GLU . . . . . 0.406 ' HG2' ' HB2' ' A' ' 592' ' ' HIS . 4.7 tt0 -66.14 -42.57 88.93 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 625' ' ' THR . . . . . 0.66 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 24.2 m -63.11 -43.68 97.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.48 -36.39 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.55 19.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 628' ' ' ASP . . . . . 0.559 ' HB3' HH21 ' B' ' 632' ' ' ARG . 26.2 m-20 -66.18 -29.99 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.017 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.66 ' HB2' ' O ' ' B' ' 625' ' ' THR . 5.9 tt0 -64.97 -44.15 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.762 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 4.5 pt20 -66.5 -35.86 81.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.483 ' O ' HG13 ' B' ' 634' ' ' ILE . 15.6 mttm -61.81 -47.72 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.559 HH21 ' HB3' ' B' ' 628' ' ' ASP . 9.0 mtt180 -67.67 -38.93 84.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.953 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' C' ' 634' ' ' ILE . 52.4 mt-10 -58.91 -52.99 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 111.894 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.591 HG21 ' HB3' ' A' ' 633' ' ' GLU . 1.7 pp -68.12 -35.19 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.132 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.51 -52.83 63.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.479 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.53 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.439 HD23 HD12 ' C' ' 641' ' ' LEU . 0.5 OUTLIER -62.38 -41.51 98.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -38.08 86.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.55 -42.4 98.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.786 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.5 -37.29 82.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.638 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -68.58 -40.28 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.767 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.32 -39.3 85.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.471 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.567 ' O ' HG22 ' B' ' 647' ' ' ILE . 2.5 tt0 -65.53 -41.4 93.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.28 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.663 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 4.2 tt0 -71.95 -28.81 63.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.677 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 2.5 mmtt -68.49 -48.07 65.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.0 88.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.567 HG22 ' O ' ' B' ' 643' ' ' GLU . 4.8 tt -67.14 -36.88 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 111.245 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.666 HH11 ' HG3' ' B' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.34 66.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.044 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.442 ' HG ' HH12 ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.67 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.735 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' B' ' 647' ' ' ILE . 19.9 mtp180 -58.99 -45.57 90.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.612 ' O ' HG23 ' B' ' 655' ' ' VAL . 8.7 tp -63.12 -31.41 72.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.666 ' HG3' HH11 ' B' ' 648' ' ' ARG . 2.7 mm-40 -60.36 -41.84 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.149 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.34 -40.29 89.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.358 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 658' ' ' ILE . 16.5 tt0 -62.71 -43.88 97.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.497 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 651' ' ' LEU . 81.5 t -57.78 -45.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.22 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -38.3 69.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.54 -47.26 82.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.679 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.481 HG22 HD13 ' C' ' 662' ' ' LEU . 0.6 OUTLIER -63.04 -34.87 69.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.688 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.67 -41.21 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -45.61 84.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.822 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.344 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 661' ' ' ALA . 1.2 tp -68.0 -31.23 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.571 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 663' ' ' GLN . . . . . 0.403 ' OE1' ' HD3' ' B' ' 659' ' ' LYS . 0.0 OUTLIER -80.97 -30.4 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.91 -37.5 84.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 592' ' ' HIS . . . . . 0.479 ' HB2' ' OD2' ' A' ' 628' ' ' ASP . 46.3 m170 -76.74 170.89 15.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.375 . . . . 0.0 110.686 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.51 148.57 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.58 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.481 ' H ' ' HA ' ' A' ' 621' ' ' SER . 0.3 OUTLIER -60.55 -44.5 96.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.73 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.02 32.37 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.764 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.585 ' HG3' ' HB3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER 49.66 68.64 3.28 Favored Pre-proline 0 CA--C 1.53 0.2 0 N-CA-C 110.69 -0.115 . . . . 0.0 110.69 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -86.83 -16.98 3.36 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.607 2.205 . . . . 0.0 113.053 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.9 66.62 1.54 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.009 0.433 . . . . 0.0 111.477 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.419 ' HG2' HG22 ' A' ' 614' ' ' THR . 1.4 mtt -69.78 -27.5 64.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.558 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.82 140.56 21.31 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.0 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.55 175.12 11.1 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.41 2.073 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -75.12 169.16 18.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.349 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.18 76.93 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.358 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' C' ' 607' ' ' ALA . 6.3 t -77.76 130.13 36.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.788 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.2 p -70.7 -35.73 72.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.94 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -47.03 41.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.624 ' HB3' ' HB3' ' C' ' 604' ' ' SER . . . -62.16 -32.39 72.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.77 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.439 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.788 HG23 ' O ' ' C' ' 605' ' ' SER . 5.8 t -66.55 -44.94 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -46.11 84.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 111.752 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 -32.07 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.47 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' C' ' 612' ' ' LEU . 0.0 OUTLIER -66.79 -46.15 76.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.79 0.329 . . . . 0.0 111.113 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.21 -44.68 92.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' C' ' 618' ' ' GLU . 64.3 p -67.45 -32.79 73.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.609 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.802 ' HB3' HG11 ' A' ' 616' ' ' VAL . 1.8 mt-30 -62.86 -54.2 42.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.965 0.412 . . . . 0.0 111.162 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' B' ' 615' ' ' GLN . 3.2 t -66.96 -33.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.592 ' HB3' ' HG3' ' B' ' 596' ' ' LYS . 0.1 OUTLIER -63.74 -53.13 55.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.299 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' C' ' 614' ' ' THR . 76.4 mt-10 -64.72 -42.03 95.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.646 ' O ' HD12 ' C' ' 623' ' ' ILE . 10.2 tp -59.69 -40.19 87.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.612 ' HD2' HD22 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.83 -44.97 91.04 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 621' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' B' ' 594' ' ' GLU . 0.5 OUTLIER -57.19 -40.98 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.538 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' C' ' 619' ' ' LEU . 46.7 mt -64.8 -37.63 80.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.646 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.646 HD12 ' O ' ' C' ' 619' ' ' LEU . 0.9 OUTLIER -63.73 -43.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.222 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.04 -42.6 89.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 625' ' ' THR . . . . . 0.659 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 24.3 m -63.1 -43.58 98.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.036 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.57 -36.35 70.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.51 19.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 628' ' ' ASP . . . . . 0.575 ' HB3' HH21 ' C' ' 632' ' ' ARG . 26.3 m-20 -66.33 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.045 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.659 ' HB2' ' O ' ' C' ' 625' ' ' THR . 5.9 tt0 -65.05 -44.06 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' C' ' 627' ' ' LYS . 4.5 pt20 -66.51 -35.89 81.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.482 ' O ' HG13 ' C' ' 634' ' ' ILE . 15.5 mttm -61.81 -47.73 83.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 632' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' C' ' 628' ' ' ASP . 9.0 mtt180 -67.7 -38.88 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.001 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.589 ' HB3' HG21 ' A' ' 634' ' ' ILE . 52.3 mt-10 -58.93 -52.92 63.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.082 0.467 . . . . 0.0 111.884 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.595 HG21 ' HB3' ' B' ' 633' ' ' GLU . 1.7 pp -68.17 -35.19 70.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.118 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.54 -52.79 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -38.49 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.434 HD23 HD12 ' A' ' 641' ' ' LEU . 0.5 OUTLIER -62.35 -41.6 98.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.747 179.582 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 22.1 m -63.6 -42.31 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.54 -37.3 82.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.639 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -68.65 -40.25 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.772 179.591 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.23 -39.37 86.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.468 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.557 ' O ' HG22 ' C' ' 647' ' ' ILE . 2.5 tt0 -65.46 -41.47 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.224 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.655 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 4.2 tt0 -71.99 -28.78 63.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.663 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 2.5 mmtt -68.5 -48.06 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.01 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 643' ' ' GLU . 4.8 tt -67.17 -36.97 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.171 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.67 HH11 ' HG3' ' C' ' 652' ' ' GLN . 6.0 tmm_? -70.89 -44.37 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.431 ' HG ' HH12 ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.64 -41.1 94.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.418 ' NH1' ' HA ' ' C' ' 647' ' ' ILE . 19.8 mtp180 -59.06 -45.54 90.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.662 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.606 ' O ' HG23 ' C' ' 655' ' ' VAL . 8.7 tp -63.09 -31.52 72.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.67 ' HG3' HH11 ' C' ' 648' ' ' ARG . 2.7 mm-40 -60.24 -41.89 94.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.146 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.26 89.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.469 ' O ' HG13 ' C' ' 658' ' ' ILE . 16.6 tt0 -62.69 -43.91 97.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.478 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.606 HG23 ' O ' ' C' ' 651' ' ' LEU . 82.9 t -57.76 -45.78 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.457 . . . . 0.0 111.239 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -38.31 69.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.26 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.744 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -62.99 -34.88 68.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.644 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.409 ' HD3' ' OE1' ' C' ' 663' ' ' GLN . 0.3 OUTLIER -70.75 -41.21 72.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 111.018 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -45.75 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 661' ' ' ALA . . . . . 0.823 ' HB3' HD21 ' A' ' 662' ' ' LEU . . . -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.32 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' B' ' 661' ' ' ALA . 1.2 tp -68.06 -31.28 70.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 663' ' ' GLN . . . . . 0.409 ' OE1' ' HD3' ' C' ' 659' ' ' LYS . 0.0 OUTLIER -81.01 -30.28 34.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.94 -37.56 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.573 -0.211 . . . . 0.0 112.573 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.32 79.58 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.675 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.613 ' HB3' ' HE3' ' A' ' 596' ' ' LYS . 0.0 OUTLIER -158.97 126.59 4.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.608 -179.512 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -66.15 139.76 58.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.697 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 79.66 3.58 89.04 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.778 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.613 ' HE3' ' HB3' ' A' ' 593' ' ' MET . 0.8 OUTLIER -116.62 105.37 50.13 Favored Pre-proline 0 CA--C 1.53 0.212 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.534 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.0 Cg_endo -86.3 145.44 8.36 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.62 2.214 . . . . 0.0 112.962 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' C' ' 604' ' ' SER . 10.2 ttpt -164.53 132.55 3.36 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.05 0.452 . . . . 0.0 111.399 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 3.9 mtt -140.03 120.33 13.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.643 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.2 OUTLIER -136.63 -61.92 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.944 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.643 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.0 Cg_endo -75.38 138.75 22.54 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.428 2.086 . . . . 0.0 112.37 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -106.83 120.1 41.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.36 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -148.96 156.86 42.89 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.55 ' HA ' ' HE2' ' B' ' 598' ' ' LYS . 51.0 m -49.41 -30.55 8.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -29.21 58.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.79 64.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' B' ' 598' ' ' LYS . . . -60.8 -39.3 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.32 90.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.92 -38.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.69 -50.81 71.96 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.152 0.501 . . . . 0.0 111.754 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.523 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.5 OUTLIER -62.12 -39.18 91.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.815 ' O ' HG23 ' A' ' 616' ' ' VAL . 12.3 mt -61.48 -44.27 97.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 111.076 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.695 ' HA ' HD21 ' C' ' 612' ' ' LEU . 11.2 ttm180 -56.47 -43.84 79.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.019 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -45.78 92.61 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.646 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.58 -38.97 92.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 111.203 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 612' ' ' LEU . 36.2 t -62.45 -50.7 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -47.2 86.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.346 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.3 -31.61 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.56 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -61.97 -50.9 70.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.4 OUTLIER -58.15 -43.14 87.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.25 78.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.64 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 619' ' ' LEU . 20.1 mt -63.97 -43.74 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.58 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 620' ' ' ARG . 4.6 mt -65.32 -43.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.234 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.43 -42.31 86.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.81 -45.12 72.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.475 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 19.3 mtt -60.98 -37.45 82.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.471 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.7 OUTLIER -65.21 -38.55 90.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.49 -45.65 82.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.61 -48.52 72.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.569 HE21 ' HG2' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -60.3 -44.08 95.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 627' ' ' LYS . 4.0 mmtm -64.91 -38.18 90.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -41.44 97.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.009 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.496 ' HB3' HG21 ' B' ' 634' ' ' ILE . 1.1 mm-40 -64.27 -44.02 93.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.03 0.443 . . . . 0.0 111.839 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' C' ' 633' ' ' GLU . 35.3 mt -63.82 -41.39 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.082 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 638' ' ' LEU . 4.9 mmpp? -61.61 -37.92 85.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.5 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.3 95.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.992 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.3 mt -62.44 -41.84 99.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.6 ' HA ' HD21 ' C' ' 637' ' ' LEU . 2.0 mt -59.53 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -34.46 74.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -44.46 80.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.26 -31.98 73.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.76 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.38 -50.1 75.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.489 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.483 ' HA ' ' OE1' ' A' ' 643' ' ' GLU . 1.2 mm-40 -64.3 -37.14 86.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.283 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.578 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -61.56 -40.28 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.464 ' HD3' HH22 ' A' ' 648' ' ' ARG . 3.5 mttt -66.65 -37.47 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.417 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.84 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 111.187 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.561 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.4 tmm_? -61.49 -47.14 87.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.01 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.4 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 33.4 mtt180 -62.15 -37.6 85.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -57.41 -44.98 85.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.403 ' HA ' HD21 ' C' ' 651' ' ' LEU . 6.0 tt0 -65.74 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.122 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 111.28 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.93 -36.25 82.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 651' ' ' LEU . 25.0 t -66.37 -37.29 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.171 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.54 -53.42 48.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.753 HG13 HD22 ' B' ' 662' ' ' LEU . 13.0 tt -65.91 -31.98 56.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.642 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.6 -49.65 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 660' ' ' LYS . 1.0 OUTLIER -62.51 -43.29 99.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.84 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.33 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.766 HD22 HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -62.52 -32.71 73.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -82.82 -21.88 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.4 m -71.63 -25.1 62.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 20.8 pttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.067 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.599 -0.2 . . . . 0.0 112.599 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.26 79.56 1.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.868 0.366 . . . . 0.0 110.666 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 593' ' ' MET . . . . . 0.614 ' HB3' ' HE3' ' B' ' 596' ' ' LYS . 0.0 OUTLIER -158.96 126.69 4.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.584 -179.548 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -66.24 139.78 58.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.726 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 79.59 3.77 89.03 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.771 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.614 ' HE3' ' HB3' ' B' ' 593' ' ' MET . 0.8 OUTLIER -116.77 105.4 49.82 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.523 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 91.5 Cg_endo -86.29 145.41 8.36 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.609 2.206 . . . . 0.0 113.045 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 604' ' ' SER . 10.1 ttpt -164.5 132.48 3.36 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.03 0.443 . . . . 0.0 111.439 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 3.9 mtt -140.03 120.31 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.567 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.638 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -136.59 -61.86 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.974 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.638 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.1 Cg_endo -75.3 138.75 22.73 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.436 2.091 . . . . 0.0 112.355 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -106.87 120.14 41.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.367 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.687 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -148.98 156.79 42.79 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.337 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.535 ' HA ' ' HE2' ' C' ' 598' ' ' LYS . 51.0 m -49.37 -30.54 7.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.23 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -29.2 58.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.896 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -70.98 -28.81 64.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' C' ' 598' ' ' LYS . . . -60.83 -39.21 88.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.29 91.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.462 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.99 -38.2 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.75 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.735 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.527 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.5 OUTLIER -62.23 -39.13 91.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 179.449 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.826 ' O ' HG23 ' B' ' 616' ' ' VAL . 12.3 mt -61.54 -44.15 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.799 0.333 . . . . 0.0 111.111 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.678 ' HA ' HD21 ' A' ' 612' ' ' LEU . 11.2 ttm180 -56.56 -43.77 80.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -45.75 92.89 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.57 -39.05 93.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 111.147 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.826 HG23 ' O ' ' B' ' 612' ' ' LEU . 35.8 t -62.41 -50.63 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -59.81 -47.12 86.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.31 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.45 -31.43 72.64 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.979 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -62.01 -50.89 70.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.99 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.3 OUTLIER -58.16 -43.09 87.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.85 -36.32 78.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 619' ' ' LEU . 20.1 mt -64.0 -43.68 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.57 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 620' ' ' ARG . 4.6 mt -65.33 -43.8 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -42.27 86.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.8 -45.07 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.483 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 19.2 mtt -61.05 -37.43 82.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.475 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.7 OUTLIER -65.29 -38.51 90.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.021 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.48 -45.64 82.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.57 -48.56 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.559 HE21 ' HG2' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -60.26 -44.12 95.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.569 ' HG2' HE21 ' A' ' 630' ' ' GLN . 4.0 mmtm -64.79 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -41.4 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.974 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.506 ' HB3' HG21 ' C' ' 634' ' ' ILE . 1.1 mm-40 -64.34 -44.08 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 0.0 111.808 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' A' ' 633' ' ' GLU . 35.0 mt -63.76 -41.32 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.162 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' B' ' 638' ' ' LEU . 4.9 mmpp? -61.76 -37.81 85.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.478 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -40.32 95.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.3 mt -62.39 -41.8 98.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HA ' HD21 ' A' ' 637' ' ' LEU . 2.0 mt -59.51 -50.06 75.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -34.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -44.39 80.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.75 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -59.33 -50.11 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.501 ' HA ' ' OE1' ' B' ' 643' ' ' GLU . 1.2 mm-40 -64.37 -37.19 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.2 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.572 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.0 OUTLIER -61.44 -40.39 94.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.45 ' HD3' HH22 ' B' ' 648' ' ' ARG . 3.5 mttt -66.58 -37.54 85.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.681 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.411 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -62.31 -47.66 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.87 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.21 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.578 HH21 ' HG2' ' A' ' 644' ' ' GLU . 4.4 tmm_? -61.41 -47.15 87.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.38 -46.63 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 33.1 mtt180 -62.14 -37.58 85.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.587 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -57.46 -45.07 85.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.737 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.406 ' HA ' HD21 ' A' ' 651' ' ' LEU . 6.0 tt0 -65.61 -34.4 78.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.232 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -43.85 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.03 -36.23 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 651' ' ' LEU . 25.1 t -66.4 -37.24 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -63.58 -43.28 97.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.4 -53.43 48.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.746 HG13 HD22 ' C' ' 662' ' ' LEU . 13.0 tt -66.07 -31.79 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.678 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.531 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.74 -49.62 67.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 660' ' ' LYS . . . . . 0.516 ' HZ2' ' HA ' ' B' ' 660' ' ' LYS . 1.0 OUTLIER -62.49 -43.29 99.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.66 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.304 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.753 HD22 HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -62.57 -32.73 73.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.514 179.506 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 663' ' ' GLN . . . . . 0.463 ' HB2' ' HZ2' ' B' ' 660' ' ' LYS . 8.9 mm100 -82.82 -21.83 34.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m -71.75 -24.98 61.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 20.8 pttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.068 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.582 -0.207 . . . . 0.0 112.582 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.32 79.56 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.668 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 593' ' ' MET . . . . . 0.588 ' HB3' ' HE3' ' C' ' 596' ' ' LYS . 0.0 OUTLIER -158.99 126.63 4.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.563 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -66.16 139.75 58.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.706 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 79.65 3.65 89.06 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.801 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.588 ' HE3' ' HB3' ' C' ' 593' ' ' MET . 0.8 OUTLIER -116.71 105.35 50.0 Favored Pre-proline 0 CA--C 1.531 0.219 0 N-CA-C 110.637 -0.134 . . . . 0.0 110.637 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.527 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 91.9 Cg_endo -86.31 145.35 8.31 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.607 2.205 . . . . 0.0 113.063 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' B' ' 604' ' ' SER . 10.2 ttpt -164.45 132.56 3.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.075 0.464 . . . . 0.0 111.451 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 3.9 mtt -140.04 120.43 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.513 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.641 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -136.66 -61.92 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.003 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.641 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.3 Cg_endo -75.35 138.73 22.58 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.397 2.065 . . . . 0.0 112.368 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -106.79 120.15 41.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.418 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.692 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -148.96 156.72 42.69 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.322 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.53 ' HA ' ' HE2' ' A' ' 598' ' ' LYS . 51.1 m -49.34 -30.56 7.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -29.14 58.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.859 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.81 64.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 598' ' ' LYS . . . -60.75 -39.32 88.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.34 91.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.396 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.97 -38.23 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.77 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.534 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.5 OUTLIER -62.18 -39.11 91.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.378 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.832 ' O ' HG23 ' C' ' 616' ' ' VAL . 12.3 mt -61.51 -44.25 97.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.679 ' HA ' HD21 ' B' ' 612' ' ' LEU . 11.2 ttm180 -56.51 -43.86 80.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -45.85 92.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.626 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.54 -39.08 93.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.012 0.434 . . . . 0.0 111.166 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.832 HG23 ' O ' ' C' ' 612' ' ' LEU . 36.4 t -62.34 -50.7 78.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.172 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -59.74 -47.17 86.72 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.704 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.38 -31.46 72.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -62.0 -50.92 70.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.998 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.521 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.4 OUTLIER -58.13 -43.13 87.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.34 78.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' C' ' 619' ' ' LEU . 20.2 mt -63.94 -43.68 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.593 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' C' ' 620' ' ' ARG . 4.6 mt -65.39 -43.73 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -42.15 86.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.249 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -45.02 72.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.039 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.471 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 19.3 mtt -61.02 -37.53 82.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.483 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.7 OUTLIER -65.13 -38.54 90.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.44 -45.67 82.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.073 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.6 -48.51 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.25 -44.08 95.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.559 ' HG2' HE21 ' B' ' 630' ' ' GLN . 3.9 mmtm -64.96 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -41.44 97.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.078 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.489 ' HB3' HG21 ' A' ' 634' ' ' ILE . 1.1 mm-40 -64.33 -43.92 93.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.055 0.455 . . . . 0.0 111.921 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' B' ' 633' ' ' GLU . 35.4 mt -63.91 -41.3 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.066 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' C' ' 638' ' ' LEU . 4.9 mmpp? -61.72 -37.86 85.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.509 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.32 95.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.997 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.3 mt -62.4 -41.86 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.773 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.614 ' HA ' HD21 ' B' ' 637' ' ' LEU . 2.0 mt -59.51 -50.05 75.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.795 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.52 80.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.939 0.399 . . . . 0.0 110.811 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.839 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.53 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.459 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.487 ' HA ' ' OE1' ' C' ' 643' ' ' GLU . 1.2 mm-40 -64.33 -37.19 86.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.249 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.561 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.0 OUTLIER -61.47 -40.35 94.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.894 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.453 ' HD3' HH22 ' C' ' 648' ' ' ARG . 3.5 mttt -66.53 -37.54 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.712 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.42 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -62.34 -47.7 83.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.84 -39.86 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.054 0.454 . . . . 0.0 111.219 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.572 HH21 ' HG2' ' B' ' 644' ' ' GLU . 4.4 tmm_? -61.5 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.45 -46.65 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 33.2 mtt180 -62.22 -37.45 85.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.699 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.581 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -57.5 -44.98 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.772 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.416 ' HA ' HD21 ' B' ' 651' ' ' LEU . 6.0 tt0 -65.7 -34.43 78.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.16 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.298 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.04 -36.24 82.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.581 HG23 ' O ' ' C' ' 651' ' ' LEU . 25.1 t -66.45 -37.19 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.177 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -63.54 -43.32 97.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.52 -53.34 49.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.749 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.766 HG13 HD22 ' A' ' 662' ' ' LEU . 13.0 tt -66.01 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.678 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.532 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.64 -49.65 67.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 660' ' ' LYS . . . . . 0.649 ' HZ2' ' HA ' ' C' ' 660' ' ' LYS . 1.0 OUTLIER -62.53 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.299 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.746 HD22 HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -62.59 -32.73 73.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.463 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m -71.64 -25.08 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 20.7 pttt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.062 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.41 ' N ' HG23 ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.49 2.233 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -75.41 154.83 36.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.917 0.389 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 4.5 mtp -136.34 147.09 47.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.582 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.706 ' HG2' ' HG2' ' B' ' 620' ' ' ARG . 0.5 OUTLIER -69.59 -31.79 70.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.694 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.82 -12.47 69.3 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.801 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.613 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER 46.96 69.73 2.5 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -85.42 -10.44 7.66 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.576 2.184 . . . . 0.0 112.996 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.448 ' HE2' ' HE ' ' B' ' 617' ' ' ARG . 11.3 pttt -130.82 51.9 2.09 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.078 0.466 . . . . 0.0 111.446 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.654 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -61.73 -35.47 78.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.56 138.58 23.82 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.49 ' HD2' ' HG3' ' B' ' 610' ' ' GLU . 66.9 Cg_endo -72.71 164.38 35.74 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.465 2.11 . . . . 0.0 112.407 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -63.65 169.68 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.354 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.25 72.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.298 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.682 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 1.9 m -61.49 141.83 57.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 609' ' ' VAL . 29.9 p -78.92 -42.05 28.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -39.14 74.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 604' ' ' SER . . . -69.07 -34.94 75.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.05 90.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 605' ' ' SER . 38.6 t -64.36 -43.44 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.473 ' HG3' ' HD2' ' C' ' 601' ' ' PRO . 2.3 mt-10 -62.43 -42.5 99.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.173 0.511 . . . . 0.0 111.784 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.31 -39.63 92.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.445 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' B' ' 613' ' ' ARG . 0.4 OUTLIER -62.01 -51.06 69.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.088 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.634 ' HB2' HD21 ' C' ' 612' ' ' LEU . 10.4 tpp180 -57.79 -44.63 86.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.53 -37.89 87.87 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.602 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -45.08 72.42 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.156 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 612' ' ' LEU . 62.0 t -65.26 -36.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.653 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.1 OUTLIER -64.55 -49.39 71.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.337 -179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.544 ' HG2' ' HE3' ' C' ' 596' ' ' LYS . 0.0 OUTLIER -61.5 -41.04 96.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 623' ' ' ILE . 10.5 tp -64.81 -36.98 86.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.697 ' HG2' ' HG2' ' C' ' 594' ' ' GLU . 1.9 ttt180 -59.88 -37.82 80.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -37.98 84.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 619' ' ' LEU . 17.9 mt -67.67 -42.4 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.564 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.3 mp -60.04 -49.84 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.186 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.16 -32.22 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.22 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.411 HG23 ' N ' ' C' ' 591' ' ' GLY . 52.6 m -73.02 -38.69 66.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.012 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.67 -35.11 74.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -64.93 -49.59 69.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.56 -36.22 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.49 -45.04 92.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.832 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 633' ' ' GLU . 0.9 OUTLIER -66.25 -30.86 71.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.772 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 634' ' ' ILE . 8.0 mttm -67.3 -43.32 81.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.71 86.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.028 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.458 ' HB3' HG21 ' B' ' 634' ' ' ILE . 29.2 mt-10 -57.11 -54.8 42.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.855 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.7 pp -63.34 -37.22 78.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 19.3 tptp -60.4 -46.4 90.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.426 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.88 88.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.1 mt -61.84 -39.61 92.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.781 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' C' ' 637' ' ' LEU . 7.1 mt -67.3 -40.85 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.172 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.04 -40.67 94.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -69.33 -44.55 71.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.5 OUTLIER -60.83 -37.95 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.805 179.562 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.2 -45.84 79.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.479 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.33 89.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.27 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 1.1 tt0 -60.3 -38.64 84.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.74 98.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 646' ' ' LYS . 0.3 OUTLIER -60.18 -52.78 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.6 tt -63.63 -39.25 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 121.068 0.461 . . . . 0.0 111.205 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.543 HH22 HD12 ' A' ' 649' ' ' LEU . 0.7 OUTLIER -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.032 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.543 HD12 HH22 ' A' ' 648' ' ' ARG . 0.3 OUTLIER -63.63 -45.23 91.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.768 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.35 -38.65 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 655' ' ' VAL . 34.0 tp -64.59 -41.45 96.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.692 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.601 ' HG2' HD22 ' C' ' 651' ' ' LEU . 0.5 OUTLIER -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.103 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -44.31 94.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 111.249 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.75 96.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 651' ' ' LEU . 86.1 t -63.04 -40.15 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -62.21 -36.84 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.59 -45.38 87.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.716 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.548 HD11 HG13 ' B' ' 655' ' ' VAL . 0.0 OUTLIER -66.3 -37.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.72 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 659' ' ' LYS . 1.2 mmtt -68.64 -39.8 80.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.08 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.89 -39.88 79.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.369 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.66 95.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.52 -33.35 60.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t -72.77 -35.63 67.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.626 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.076 -0.964 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.407 ' N ' HG23 ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -75.32 154.78 37.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.916 0.389 . . . . 0.0 110.709 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 4.5 mtp -136.33 146.99 47.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.593 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.708 ' HG2' ' HG2' ' C' ' 620' ' ' ARG . 0.5 OUTLIER -69.55 -31.8 70.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.692 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.75 -12.36 69.53 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.83 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.638 ' HA ' ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER 46.9 69.75 2.49 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 110.639 -0.134 . . . . 0.0 110.639 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.42 -10.5 7.64 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.597 2.198 . . . . 0.0 112.987 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.446 ' HE2' ' HE ' ' C' ' 617' ' ' ARG . 11.3 pttt -130.76 51.87 2.09 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.999 0.428 . . . . 0.0 111.415 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.674 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -61.7 -35.52 78.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.504 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.55 138.57 23.84 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' C' ' 610' ' ' GLU . 66.9 Cg_endo -72.65 164.41 35.68 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.492 2.128 . . . . 0.0 112.396 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -63.71 169.59 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.361 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.25 -50.28 72.37 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.385 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 1.9 m -61.44 141.83 57.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.536 ' O ' HG23 ' B' ' 609' ' ' VAL . 29.7 p -78.93 -42.04 27.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -39.08 73.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' B' ' 604' ' ' SER . . . -69.05 -34.9 75.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.04 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.431 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 605' ' ' SER . 38.7 t -64.45 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.633 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.49 ' HG3' ' HD2' ' A' ' 601' ' ' PRO . 2.3 mt-10 -62.54 -42.4 99.5 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 111.821 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.35 -39.61 92.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.465 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' C' ' 613' ' ' ARG . 0.4 OUTLIER -61.98 -51.11 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.774 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.625 ' HB2' HD21 ' A' ' 612' ' ' LEU . 10.4 tpp180 -57.7 -44.68 86.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.079 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.45 -37.93 87.82 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.648 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -45.01 72.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.994 0.426 . . . . 0.0 111.171 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 612' ' ' LEU . 61.9 t -65.24 -36.26 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.654 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.1 OUTLIER -64.6 -49.4 71.25 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.271 -179.716 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.569 ' HG2' ' HE3' ' A' ' 596' ' ' LYS . 0.0 OUTLIER -61.48 -41.08 96.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.741 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.753 ' HA ' HD12 ' B' ' 622' ' ' ILE . 10.5 tp -64.78 -36.97 86.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.706 ' HG2' ' HG2' ' A' ' 594' ' ' GLU . 1.9 ttt180 -59.86 -37.87 80.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -38.02 84.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' B' ' 619' ' ' LEU . 17.9 mt -67.66 -42.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 111.636 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.718 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.3 mp -60.08 -49.76 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.235 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.28 -32.08 72.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 625' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 591' ' ' GLY . 51.4 m -73.11 -38.76 66.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.63 -35.12 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.95 -49.57 69.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.53 -36.16 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.58 -45.09 91.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 633' ' ' GLU . 0.9 OUTLIER -66.2 -30.87 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.503 ' O ' HG13 ' B' ' 634' ' ' ILE . 8.1 mttm -67.21 -43.4 82.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -43.73 86.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.017 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.441 ' HB3' HG21 ' C' ' 634' ' ' ILE . 29.2 mt-10 -57.11 -54.78 42.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.089 0.471 . . . . 0.0 111.886 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.7 pp -63.28 -37.21 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.062 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 19.4 tptp -60.44 -46.41 90.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.477 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -39.9 88.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.964 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.1 mt -61.9 -39.62 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.753 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.422 ' HA ' HD21 ' A' ' 637' ' ' LEU . 7.1 mt -67.19 -40.97 86.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.44 -44.37 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.02 0.438 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.42 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.5 OUTLIER -60.92 -37.97 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.742 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 -45.78 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.28 89.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.219 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.93 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.47 -42.72 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -52.66 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.276 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.69 -39.23 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 111.226 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.539 HH22 HD12 ' B' ' 649' ' ' LEU . 0.7 OUTLIER -61.59 -40.92 96.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.018 -179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.539 HD12 HH22 ' B' ' 648' ' ' ARG . 0.3 OUTLIER -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.773 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.39 -38.51 84.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.696 ' O ' HG23 ' B' ' 655' ' ' VAL . 34.1 tp -64.65 -41.38 96.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.771 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.611 ' HG2' HD22 ' A' ' 651' ' ' LEU . 0.5 OUTLIER -57.57 -48.52 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.21 95.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.31 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.435 ' O ' HG13 ' B' ' 658' ' ' ILE . 2.3 tt0 -61.88 -40.68 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.547 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.696 HG23 ' O ' ' B' ' 651' ' ' LEU . 86.0 t -63.04 -40.06 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.44 -36.73 83.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.48 -45.39 87.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.534 HD11 HG13 ' C' ' 655' ' ' VAL . 0.0 OUTLIER -66.37 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.668 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' B' ' 659' ' ' LYS . 1.2 mmtt -68.7 -39.76 80.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.784 0.326 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -44.02 69.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.92 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.279 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.57 -33.36 60.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.6 t -72.75 -35.62 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.636 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.088 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -75.36 154.79 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.659 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 4.5 mtp -136.4 147.06 47.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.55 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.697 ' HG2' ' HG2' ' A' ' 620' ' ' ARG . 0.5 OUTLIER -69.52 -31.83 70.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.696 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.79 -12.46 69.34 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.8 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.631 ' HA ' ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER 46.98 69.72 2.52 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 110.615 -0.142 . . . . 0.0 110.615 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.38 -10.43 7.71 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.588 2.192 . . . . 0.0 113.045 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.47 ' HE2' ' HE ' ' A' ' 617' ' ' ARG . 11.3 pttt -130.8 51.9 2.09 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.053 0.454 . . . . 0.0 111.4 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.653 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -61.75 -35.45 78.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.526 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.58 138.6 23.79 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.473 ' HD2' ' HG3' ' A' ' 610' ' ' GLU . 67.0 Cg_endo -72.7 164.38 35.75 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.504 2.136 . . . . 0.0 112.41 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -63.71 169.74 3.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.352 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.4 -50.23 72.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.314 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.674 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 1.9 m -61.46 141.77 57.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.545 ' O ' HG23 ' C' ' 609' ' ' VAL . 29.4 p -78.9 -42.06 28.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -39.17 74.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.674 ' HB3' ' HB2' ' C' ' 604' ' ' SER . . . -69.04 -34.93 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.99 90.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.451 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.545 HG23 ' O ' ' C' ' 605' ' ' SER . 38.7 t -64.49 -43.4 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.65 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.462 ' HA ' ' HD3' ' B' ' 601' ' ' PRO . 2.3 mt-10 -62.46 -42.48 99.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.19 0.519 . . . . 0.0 111.834 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.22 -39.71 93.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.634 HD21 ' HB2' ' A' ' 613' ' ' ARG . 0.4 OUTLIER -61.96 -51.05 69.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.637 ' HB2' HD21 ' B' ' 612' ' ' LEU . 10.5 tpp180 -57.8 -44.7 86.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 17.9 p -62.44 -37.88 87.57 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.703 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -45.0 72.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.206 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.459 HG23 ' O ' ' C' ' 612' ' ' LEU . 62.0 t -65.32 -36.27 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.674 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.1 OUTLIER -64.54 -49.4 71.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.562 ' HG2' ' HE3' ' B' ' 596' ' ' LYS . 0.0 OUTLIER -61.49 -41.11 96.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.5 tp -64.7 -37.03 86.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.708 ' HG2' ' HG2' ' B' ' 594' ' ' GLU . 1.9 ttt180 -59.86 -37.84 80.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -37.95 84.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.611 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' C' ' 619' ' ' LEU . 17.9 mt -67.62 -42.39 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 111.625 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.735 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.3 mp -60.08 -49.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.2 -32.2 72.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.215 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 625' ' ' THR . . . . . 0.407 HG23 ' N ' ' B' ' 591' ' ' GLY . 52.3 m -73.12 -38.58 66.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.969 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.73 -35.15 74.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.94 -49.52 70.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.059 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.53 -45.09 92.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' C' ' 633' ' ' GLU . 0.9 OUTLIER -66.22 -30.94 71.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.76 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.506 ' O ' HG13 ' C' ' 634' ' ' ILE . 8.0 mttm -67.21 -43.3 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -43.73 86.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.992 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.465 ' HB3' HG21 ' A' ' 634' ' ' ILE . 29.1 mt-10 -57.08 -54.85 42.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.864 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.506 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.7 pp -63.28 -37.22 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.084 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 19.4 tptp -60.34 -46.46 89.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.452 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.87 88.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.1 mt -61.83 -39.59 92.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' B' ' 637' ' ' LEU . 7.1 mt -67.31 -40.9 86.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 8.7 m -61.05 -40.61 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.51 -44.44 71.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -60.9 -37.98 84.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.76 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.1 -45.88 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.36 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.234 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 1.1 tt0 -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.69 98.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.78 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' C' ' 646' ' ' LYS . 0.3 OUTLIER -60.24 -52.7 64.16 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.21 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.74 -39.16 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.206 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.548 HH22 HD12 ' C' ' 649' ' ' LEU . 0.7 OUTLIER -61.62 -40.86 96.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.099 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.548 HD12 HH22 ' C' ' 648' ' ' ARG . 0.3 OUTLIER -63.63 -45.3 90.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.34 -38.55 84.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.688 ' O ' HG23 ' C' ' 655' ' ' VAL . 34.1 tp -64.65 -41.34 96.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.603 ' HG2' HD22 ' B' ' 651' ' ' LEU . 0.5 OUTLIER -57.6 -48.48 79.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.115 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -44.26 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.296 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.451 ' O ' HG13 ' C' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.71 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.555 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.688 HG23 ' O ' ' C' ' 651' ' ' LEU . 85.6 t -63.05 -40.11 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.191 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.37 -36.69 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.56 -45.39 87.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.544 HD11 HG13 ' A' ' 655' ' ' VAL . 0.0 OUTLIER -66.34 -37.88 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -68.69 -39.77 80.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -43.98 69.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.92 79.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.41 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -75.59 -33.33 60.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t -72.77 -35.62 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.641 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.492 ' CE1' HH12 ' B' ' 632' ' ' ARG . 0.1 OUTLIER -83.37 -51.85 7.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.399 . . . . 0.0 110.654 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.502 ' SD ' ' HB3' ' B' ' 621' ' ' SER . 0.0 OUTLIER -148.31 133.13 17.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.578 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.507 ' H ' ' HG3' ' A' ' 594' ' ' GLU . 4.8 mt-10 -64.53 -45.95 84.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.686 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 64.2 37.95 95.25 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.81 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.46 120.08 18.71 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.14 66.48 5.15 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.568 2.179 . . . . 0.0 112.991 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 122.51 18.77 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.991 0.424 . . . . 0.0 111.427 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.663 ' HB2' ' HG2' ' B' ' 610' ' ' GLU . 2.3 ptp -149.47 152.69 36.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.548 ' HG3' ' HD2' ' B' ' 613' ' ' ARG . 31.7 mt-10 -117.62 88.34 29.22 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -72.05 -42.12 1.68 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.395 2.063 . . . . 0.0 112.397 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -125.53 99.07 5.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.384 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -167.22 167.45 14.19 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 66.7 m -56.5 133.67 53.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.222 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 66.9 m -70.85 -39.9 72.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.2 -51.63 51.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' A' ' 604' ' ' SER . . . -64.64 -45.93 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.18 82.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.2 -40.07 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' C' ' 599' ' ' MET . 1.1 tt0 -64.64 -48.7 73.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.745 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.478 ' HB3' HH21 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -59.09 -39.79 83.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.453 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 616' ' ' VAL . 5.0 mt -63.83 -43.06 97.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.068 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.559 ' HD2' ' HG3' ' C' ' 600' ' ' GLU . 0.0 OUTLIER -62.38 -41.15 98.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.641 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -30.38 70.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 111.174 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.3 t -66.42 -47.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -62.8 -46.37 88.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 -179.755 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 622' ' ' ILE . 47.7 mt-10 -60.57 -35.8 76.94 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.976 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.561 ' HG ' ' HD2' ' B' ' 620' ' ' ARG . 0.2 OUTLIER -66.62 -45.54 78.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.555 ' HD2' ' HG ' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.09 -30.76 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 621' ' ' SER . . . . . 0.512 ' HB3' ' SD ' ' C' ' 593' ' ' MET . 16.3 m -67.94 -39.57 83.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.721 HG13 ' O ' ' A' ' 618' ' ' GLU . 3.6 mt -67.47 -40.98 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.559 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 624' ' ' GLU . 0.4 OUTLIER -60.66 -45.49 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.235 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 624' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 623' ' ' ILE . 2.5 mt-10 -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.21 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -49.8 68.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.049 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.467 ' HE1' ' HB3' ' B' ' 626' ' ' MET . 3.8 ttm -62.15 -35.08 77.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 5.0 tttp -65.0 -46.91 79.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 -42.93 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.598 ' HG3' HH22 ' A' ' 632' ' ' ARG . 1.5 mt-30 -66.17 -33.24 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.466 HE21 ' HG2' ' A' ' 631' ' ' LYS . 1.2 tt0 -69.19 -48.84 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 6.7 mmtt -63.92 -46.65 83.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' ARG . . . . . 0.598 HH22 ' HG3' ' A' ' 629' ' ' GLN . 1.5 ttp-105 -63.77 -45.22 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.948 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 629' ' ' GLN . 4.3 mt-10 -60.9 -49.23 78.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 111.911 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.869 ' HA ' HD12 ' A' ' 637' ' ' LEU . 1.0 OUTLIER -65.96 -32.37 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.108 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -64.08 -41.78 97.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.402 -179.525 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.64 -45.72 88.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.012 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 634' ' ' ILE . 1.8 mt -60.45 -41.26 93.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.414 HD12 HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.95 -42.39 99.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 644' ' ' GLU . 1.4 tt0 -64.27 -37.75 88.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.596 ' HG ' HD21 ' B' ' 641' ' ' LEU . 40.9 mt -62.21 -43.79 98.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.826 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.74 -39.08 93.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.435 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.562 ' OE1' ' HA ' ' A' ' 640' ' ' GLU . 8.0 mt-10 -65.53 -41.29 93.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.242 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.733 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 11.8 mt-10 -62.71 -37.47 86.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.826 ' O ' HD12 ' A' ' 649' ' ' LEU . 0.0 OUTLIER -65.28 -44.06 89.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.72 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.538 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 5.7 mmtp -62.09 -47.05 86.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.2 mt -65.49 -41.05 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.092 0.472 . . . . 0.0 111.21 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.516 HH22 ' HE3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -65.42 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.02 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -64.27 -46.2 84.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.721 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.538 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.683 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -64.08 -44.32 92.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.757 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' C' ' 651' ' ' LEU . 1.7 tt0 -66.44 -32.11 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.175 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -38.87 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.591 ' HB3' HG11 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -64.3 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.502 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' C' ' 654' ' ' GLU . 36.4 t -64.3 -41.42 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 111.148 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.11 -37.8 86.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.524 ' HA ' ' HE3' ' A' ' 660' ' ' LYS . 0.4 OUTLIER -66.91 -42.57 85.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.751 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.546 HG21 HG21 ' C' ' 658' ' ' ILE . 16.3 mt -69.23 -33.58 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.666 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.6 -43.06 85.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.754 0.311 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 657' ' ' ASP . 45.9 mtmt -57.81 -53.63 56.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' A' ' 665' ' ' LYS . . . -67.08 -37.78 84.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.336 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.31 -32.15 73.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -31.0 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -43.92 52.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 592' ' ' HIS . . . . . 0.494 ' CE1' HH12 ' C' ' 632' ' ' ARG . 0.1 OUTLIER -83.38 -51.85 7.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.39 . . . . 0.0 110.669 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 593' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' C' ' 621' ' ' SER . 0.0 OUTLIER -148.32 133.11 17.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.592 -179.518 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' B' ' 594' ' ' GLU . 4.8 mt-10 -64.5 -45.94 85.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.755 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 64.22 37.98 95.28 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.75 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.48 120.14 18.72 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.588 -0.153 . . . . 0.0 110.588 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.19 66.46 5.11 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.63 2.22 . . . . 0.0 112.926 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 122.48 18.72 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.992 0.425 . . . . 0.0 111.435 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.692 ' HB2' ' HG2' ' C' ' 610' ' ' GLU . 2.3 ptp -149.45 152.68 36.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.544 ' HG3' ' HD2' ' C' ' 613' ' ' ARG . 31.8 mt-10 -117.68 88.41 29.75 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.012 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.02 -42.2 1.67 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.387 2.058 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -125.48 99.09 5.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.384 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -167.23 167.45 14.18 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.343 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 66.7 m -56.51 133.65 53.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 66.7 m -70.8 -39.97 72.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -51.64 51.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' B' ' 604' ' ' SER . . . -64.67 -45.89 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.12 82.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.468 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.21 -40.07 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.663 ' HG2' ' HB2' ' A' ' 599' ' ' MET . 1.1 tt0 -64.56 -48.74 73.89 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 111.767 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.466 ' HB3' HH21 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -58.97 -39.93 83.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.439 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.594 ' O ' HG23 ' B' ' 616' ' ' VAL . 5.0 mt -63.8 -43.04 97.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 111.16 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.551 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.0 OUTLIER -62.39 -41.1 98.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.045 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.17 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.669 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -30.54 70.61 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.108 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 612' ' ' LEU . 42.3 t -66.38 -47.52 83.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.225 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HA ' ' HD2' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -62.75 -46.37 88.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.35 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.712 ' O ' HG13 ' B' ' 622' ' ' ILE . 47.7 mt-10 -60.51 -35.85 76.97 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.549 ' HG ' ' HD2' ' C' ' 620' ' ' ARG . 0.2 OUTLIER -66.6 -45.49 79.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.561 ' HD2' ' HG ' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.14 -30.68 71.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.502 ' HB3' ' SD ' ' A' ' 593' ' ' MET . 16.3 m -67.89 -39.62 83.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.712 HG13 ' O ' ' B' ' 618' ' ' GLU . 3.6 mt -67.42 -41.02 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.582 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 624' ' ' GLU . 0.5 OUTLIER -60.7 -45.45 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.215 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 624' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' B' ' 623' ' ' ILE . 2.5 mt-10 -61.46 -41.0 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.261 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.008 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.467 ' HB3' ' HE1' ' A' ' 626' ' ' MET . 3.8 ttm -62.22 -35.01 77.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.435 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 5.0 tttp -65.06 -46.98 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.84 -42.9 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.608 ' HG3' HH22 ' B' ' 632' ' ' ARG . 1.5 mt-30 -66.26 -33.19 75.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.47 HE21 ' HG2' ' B' ' 631' ' ' LYS . 1.2 tt0 -69.21 -48.8 61.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.543 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 6.7 mmtt -64.02 -46.65 83.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.608 HH22 ' HG3' ' B' ' 629' ' ' GLN . 1.5 ttp-105 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.945 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' B' ' 629' ' ' GLN . 4.3 mt-10 -60.92 -49.25 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.052 0.453 . . . . 0.0 111.871 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.861 ' HA ' HD12 ' B' ' 637' ' ' LEU . 1.0 OUTLIER -65.99 -32.33 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.077 179.261 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -64.09 -41.74 97.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.443 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.69 -45.68 88.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' B' ' 634' ' ' ILE . 1.8 mt -60.51 -41.22 93.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.403 HD12 HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 45.2 m -62.96 -42.42 99.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' B' ' 644' ' ' GLU . 1.4 tt0 -64.27 -37.72 88.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.596 HD21 ' HG ' ' A' ' 641' ' ' LEU . 41.1 mt -62.16 -43.83 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.817 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.74 -38.97 93.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.514 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' B' ' 640' ' ' GLU . 8.0 mt-10 -65.69 -41.25 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.188 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.743 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 11.8 mt-10 -62.66 -37.46 86.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.828 ' O ' HD12 ' B' ' 649' ' ' LEU . 0.0 OUTLIER -65.33 -44.05 89.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.698 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.556 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 5.7 mmtp -62.14 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.59 -40.94 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.104 0.478 . . . . 0.0 111.234 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.515 HH22 ' HE3' ' B' ' 645' ' ' LYS . 0.1 OUTLIER -65.52 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 -179.745 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.828 HD12 ' O ' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -64.27 -46.29 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.556 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -65.25 -32.35 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.716 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -64.08 -44.26 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.735 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.441 ' HA ' HD21 ' A' ' 651' ' ' LEU . 1.7 tt0 -66.49 -32.13 73.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.114 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -38.88 82.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.335 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.62 ' HB3' HG11 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -64.32 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.486 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 654' ' ' GLU . 36.8 t -64.3 -41.47 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.99 -37.89 86.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 657' ' ' ASP . . . . . 0.51 ' HA ' ' HE3' ' B' ' 660' ' ' LYS . 0.4 OUTLIER -66.84 -42.62 85.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.76 179.6 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.544 HG21 HG21 ' A' ' 658' ' ' ILE . 16.2 mt -69.22 -33.58 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.702 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.57 -43.02 86.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.786 0.327 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 660' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' B' ' 657' ' ' ASP . 45.9 mtmt -57.89 -53.64 55.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' B' ' 665' ' ' LYS . . . -67.11 -37.76 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.344 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.16 73.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -43.92 52.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' B' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 592' ' ' HIS . . . . . 0.494 ' CE1' HH12 ' A' ' 632' ' ' ARG . 0.1 OUTLIER -83.43 -51.77 7.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.879 0.371 . . . . 0.0 110.669 179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 593' ' ' MET . . . . . 0.512 ' SD ' ' HB3' ' A' ' 621' ' ' SER . 0.0 OUTLIER -148.36 133.1 17.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.616 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.489 ' H ' ' HG3' ' C' ' 594' ' ' GLU . 4.8 mt-10 -64.53 -45.91 85.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.695 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 64.18 38.04 95.38 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.79 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.49 120.04 18.67 Favored Pre-proline 0 CA--C 1.531 0.25 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.21 66.51 5.08 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.553 2.168 . . . . 0.0 112.993 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 122.43 18.6 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.009 0.433 . . . . 0.0 111.407 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.693 ' HB2' ' HG2' ' A' ' 610' ' ' GLU . 2.3 ptp -149.5 152.74 36.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.552 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.559 ' HG3' ' HD2' ' A' ' 613' ' ' ARG . 31.6 mt-10 -117.67 88.36 29.52 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -71.97 -42.24 1.68 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.478 2.118 . . . . 0.0 112.42 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -125.5 99.04 5.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -167.23 167.44 14.2 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.365 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.418 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 66.7 m -56.5 133.68 53.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 67.2 m -70.89 -39.93 72.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -51.67 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' C' ' 604' ' ' SER . . . -64.64 -45.9 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.07 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.428 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.22 -40.06 85.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.692 ' HG2' ' HB2' ' B' ' 599' ' ' MET . 1.1 tt0 -64.6 -48.68 74.0 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.207 0.527 . . . . 0.0 111.814 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.472 ' HB3' HH21 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -59.13 -39.76 83.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 179.437 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.596 ' O ' HG23 ' C' ' 616' ' ' VAL . 5.0 mt -63.88 -43.06 97.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.566 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -62.34 -41.17 98.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.041 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -46.27 90.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.629 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -30.4 70.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.596 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.3 t -66.45 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -62.81 -46.35 88.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.376 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.703 ' O ' HG13 ' C' ' 622' ' ' ILE . 47.7 mt-10 -60.53 -35.88 77.05 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.555 ' HG ' ' HD2' ' A' ' 620' ' ' ARG . 0.2 OUTLIER -66.52 -45.55 79.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.549 ' HD2' ' HG ' ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.1 -30.77 71.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 621' ' ' SER . . . . . 0.507 ' HB3' ' SD ' ' B' ' 593' ' ' MET . 16.3 m -67.9 -39.55 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.604 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.703 HG13 ' O ' ' C' ' 618' ' ' GLU . 3.5 mt -67.52 -40.96 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.582 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' C' ' 624' ' ' GLU . 0.4 OUTLIER -60.7 -45.43 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.203 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 624' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' C' ' 623' ' ' ILE . 2.5 mt-10 -61.54 -40.94 96.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -49.76 68.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.037 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.467 ' HB3' ' HE1' ' B' ' 626' ' ' MET . 3.8 ttm -62.17 -35.08 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 5.0 tttp -65.05 -46.91 79.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.87 -42.96 84.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.601 ' HG3' HH22 ' C' ' 632' ' ' ARG . 1.5 mt-30 -66.17 -33.17 75.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.461 HE21 ' HG2' ' C' ' 631' ' ' LYS . 1.2 tt0 -69.27 -48.81 60.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 6.7 mmtt -63.94 -46.69 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 632' ' ' ARG . . . . . 0.601 HH22 ' HG3' ' C' ' 629' ' ' GLN . 1.4 ttp-105 -63.69 -45.19 91.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.035 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.586 ' HB2' ' O ' ' C' ' 629' ' ' GLN . 4.3 mt-10 -60.93 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.836 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.875 ' HA ' HD12 ' C' ' 637' ' ' LEU . 1.0 OUTLIER -65.98 -32.32 57.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.087 179.251 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -64.14 -41.65 97.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -63.7 -45.75 88.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.013 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' C' ' 634' ' ' ILE . 1.8 mt -60.38 -41.24 93.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.795 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.418 HD12 HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -62.02 -42.56 99.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.88 -42.51 99.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' C' ' 644' ' ' GLU . 1.4 tt0 -64.25 -37.66 88.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.592 ' HG ' HD21 ' A' ' 641' ' ' LEU . 41.0 mt -62.22 -43.87 97.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.774 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.75 -38.95 93.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.486 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.574 ' OE1' ' HA ' ' C' ' 640' ' ' GLU . 8.0 mt-10 -65.63 -41.26 92.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.19 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.749 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 11.8 mt-10 -62.7 -37.54 86.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.81 ' O ' HD12 ' C' ' 649' ' ' LEU . 0.0 OUTLIER -65.24 -44.11 89.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.668 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.547 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 5.6 mmtp -62.06 -47.07 86.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 48.4 mt -65.57 -40.95 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.138 0.494 . . . . 0.0 111.221 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.522 HH22 ' HE3' ' C' ' 645' ' ' LYS . 0.1 OUTLIER -65.46 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.065 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.81 HD12 ' O ' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -64.26 -46.28 84.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.714 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.547 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -65.31 -32.31 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.688 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -64.06 -44.32 92.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.445 ' HA ' HD21 ' B' ' 651' ' ' LEU . 1.7 tt0 -66.45 -32.07 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.177 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -38.83 82.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.38 . . . . 0.0 111.334 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.617 ' HB3' HG11 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -64.28 -38.59 91.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.456 179.589 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' B' ' 654' ' ' GLU . 36.8 t -64.26 -41.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.186 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.12 -37.82 86.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 657' ' ' ASP . . . . . 0.513 ' HA ' ' HE3' ' C' ' 660' ' ' LYS . 0.4 OUTLIER -66.86 -42.7 85.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.546 HG21 HG21 ' A' ' 658' ' ' ILE . 16.1 mt -69.14 -33.68 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.5 -43.09 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 660' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' C' ' 657' ' ' ASP . 45.9 mtmt -57.87 -53.59 56.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 661' ' ' ALA . . . . . 0.602 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -67.09 -37.81 84.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -31.04 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.791 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -43.86 52.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.859 ' N ' ' HB2' ' C' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.92 72.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.948 0.404 . . . . 0.0 110.683 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.89 137.02 20.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.615 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -73.45 125.81 28.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.721 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.582 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 97.07 -2.88 61.78 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.813 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.79 99.86 52.53 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 110.624 -0.139 . . . . 0.0 110.624 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.642 ' HB3' HH22 ' A' ' 613' ' ' ARG . 93.2 Cg_endo -86.03 166.11 9.84 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.561 2.174 . . . . 0.0 112.968 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.683 ' HE3' ' HA ' ' C' ' 604' ' ' SER . 0.2 OUTLIER -164.38 142.39 6.91 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.035 0.445 . . . . 0.0 111.412 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.84 106.34 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.537 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.663 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 9.6 mt-10 -139.54 -60.56 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.663 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.4 Cg_endo -74.85 100.91 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.522 2.148 . . . . 0.0 112.381 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.67 123.87 23.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.395 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -166.47 172.28 11.01 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.653 ' HA ' ' HE3' ' B' ' 598' ' ' LYS . 3.9 m -53.98 -41.26 67.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.239 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 9.3 t -63.75 -39.53 94.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 0.2 OUTLIER -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.856 ' HB2' ' N ' ' B' ' 591' ' ' GLY . . . -61.0 -44.55 97.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' B' ' 598' ' ' LYS . . . -56.88 -44.6 82.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.479 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' C' ' 612' ' ' LEU . 0.2 OUTLIER -64.42 -34.89 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.06 -53.21 58.76 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 111.799 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.591 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 1.7 tm-20 -56.27 -40.73 74.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.397 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 616' ' ' VAL . 72.5 mt -63.06 -40.42 97.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.642 HH22 ' HB3' ' A' ' 597' ' ' PRO . 15.7 ttm-85 -59.05 -40.84 86.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -46.51 81.48 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -67.39 -33.04 74.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 111.137 -179.452 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.0 t -63.3 -48.89 85.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -42.75 87.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.317 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -65.4 -35.38 80.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.656 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -64.91 -40.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.669 ' HA ' HD12 ' A' ' 623' ' ' ILE . 17.2 ttt180 -66.48 -40.29 89.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 10.1 t -63.78 -30.54 71.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.626 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 619' ' ' LEU . 58.5 mt -67.62 -45.73 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.0 mt -66.19 -39.29 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.217 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.32 -47.18 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.957 0.408 . . . . 0.0 111.282 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.54 -50.58 66.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.011 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.521 ' SD ' HG22 ' B' ' 623' ' ' ILE . 14.3 mtt -56.86 -40.25 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.42 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 4.4 tmtm? -62.99 -45.55 91.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -37.53 81.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.048 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.484 ' HG3' ' NZ ' ' B' ' 631' ' ' LYS . 4.3 tp-100 -67.96 -50.09 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -36.95 80.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.537 ' HZ1' ' HG3' ' C' ' 629' ' ' GLN . 6.4 mmtt -65.85 -39.71 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 632' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -61.69 -35.44 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.95 179.677 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' B' ' 634' ' ' ILE . 28.8 mt-10 -73.07 -38.68 66.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.043 0.449 . . . . 0.0 111.884 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.42 HG21 ' HB3' ' C' ' 633' ' ' GLU . 65.6 mt -64.62 -41.99 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 631' ' ' LYS . 0.5 OUTLIER -60.33 -48.07 83.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.463 -179.56 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -40.96 95.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.7 OUTLIER -59.5 -43.5 93.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 179.627 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 5.3 mt -66.14 -41.83 89.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.147 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.074 0.464 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.438 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.44 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.752 179.577 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.12 -39.92 91.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.487 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.91 -43.62 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.267 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.72 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -68.19 -37.43 80.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.917 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.705 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.8 mttm -60.93 -42.86 98.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.691 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.563 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -63.21 -48.71 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 -179.662 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 34.1 mt -62.07 -34.72 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 111.229 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.462 ' HE ' ' HG2' ' C' ' 644' ' ' GLU . 4.2 tmm_? -66.38 -49.67 66.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.404 ' HG ' HH12 ' A' ' 648' ' ' ARG . 5.1 mt -56.47 -46.4 80.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.3 79.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.4 OUTLIER -61.99 -49.72 74.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.733 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.501 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.3 tt0 -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.15 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.23 -45.04 96.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' A' ' 658' ' ' ILE . 53.9 t -60.9 -39.36 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.69 -36.13 79.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -50.74 38.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.7 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.708 HG13 HD22 ' B' ' 662' ' ' LEU . 4.8 tt -63.29 -40.03 87.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.686 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.495 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 13.2 tttt -65.97 -44.03 86.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -48.01 80.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.06 81.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.695 HD22 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.56 -37.45 86.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.557 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -33.81 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 19.5 m -65.57 -44.74 85.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.444 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.856 ' N ' ' HB2' ' A' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.601 -0.199 . . . . 0.0 112.601 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.89 72.77 1.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 0.0 110.667 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.94 136.94 20.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.585 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -73.38 125.83 28.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.766 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.591 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 96.97 -2.69 61.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.81 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.88 99.77 52.54 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.637 ' HB3' HH22 ' B' ' 613' ' ' ARG . 92.7 Cg_endo -85.93 166.14 9.97 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.593 2.195 . . . . 0.0 113.01 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.653 ' HE3' ' HA ' ' A' ' 604' ' ' SER . 0.2 OUTLIER -164.41 142.37 6.85 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.967 0.413 . . . . 0.0 111.459 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.89 106.21 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.635 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.671 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 9.6 mt-10 -139.51 -60.51 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.981 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.671 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.7 Cg_endo -74.84 101.02 1.41 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.474 2.116 . . . . 0.0 112.39 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.71 123.86 23.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -166.4 172.4 10.99 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.673 ' HA ' ' HE3' ' C' ' 598' ' ' LYS . 3.9 m -53.96 -41.26 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.3 t -63.9 -39.44 94.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -67.1 -35.42 79.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.859 ' HB2' ' N ' ' C' ' 591' ' ' GLY . . . -61.06 -44.53 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.806 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -56.83 -44.64 82.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.465 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 612' ' ' LEU . 0.2 OUTLIER -64.41 -34.97 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.22 58.59 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.144 0.497 . . . . 0.0 111.745 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.592 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 1.7 tm-20 -56.2 -40.68 74.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 616' ' ' VAL . 72.4 mt -63.17 -40.33 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.637 HH22 ' HB3' ' B' ' 597' ' ' PRO . 15.6 ttm-85 -59.11 -40.78 86.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -46.47 81.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.634 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -67.42 -32.94 74.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 111.119 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 612' ' ' LEU . 41.7 t -63.36 -48.9 85.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -42.82 87.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.434 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.3 OUTLIER -65.37 -35.39 80.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.704 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -64.82 -40.42 95.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.671 ' HA ' HD12 ' B' ' 623' ' ' ILE . 17.2 ttt180 -66.5 -40.25 89.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.93 -30.37 71.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' B' ' 619' ' ' LEU . 58.3 mt -67.74 -45.65 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.625 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.0 mt -66.2 -39.34 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.22 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.31 -47.21 87.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.238 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.52 -50.54 66.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.027 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.514 ' SD ' HG22 ' C' ' 623' ' ' ILE . 14.3 mtt -56.94 -40.19 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.421 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 4.5 tmtm? -63.05 -45.51 91.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.95 -37.49 81.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.505 ' HG3' ' HZ1' ' C' ' 631' ' ' LYS . 4.3 tp-100 -68.02 -50.16 57.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -36.96 80.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.484 ' NZ ' ' HG3' ' A' ' 629' ' ' GLN . 6.3 mmtt -65.91 -39.67 90.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -61.75 -35.35 77.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.947 179.699 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' C' ' 634' ' ' ILE . 28.7 mt-10 -73.17 -38.6 66.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 111.865 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 633' ' ' GLU . 65.6 mt -64.67 -41.96 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.07 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.449 -179.518 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.7 OUTLIER -59.6 -43.47 93.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 5.3 mt -66.13 -41.83 89.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 111.132 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.26 -42.09 99.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.49 89.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.763 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.09 -39.9 91.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.543 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.408 ' O ' HG13 ' B' ' 647' ' ' ILE . 42.1 mm-40 -65.81 -43.7 87.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.282 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.721 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -68.25 -37.46 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.72 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.8 mttm -60.81 -42.88 98.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -63.25 -48.66 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.627 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 643' ' ' GLU . 34.2 mt -62.16 -34.67 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.093 0.473 . . . . 0.0 111.211 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.453 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 4.2 tmm_? -66.43 -49.64 66.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.403 ' HG ' HH12 ' B' ' 648' ' ' ARG . 5.2 mt -56.47 -46.46 80.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.726 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.54 -35.34 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.4 OUTLIER -62.06 -49.65 75.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.714 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.3 tt0 -58.69 -37.5 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.14 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -40.23 93.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.246 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.2 -45.11 95.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.451 ' HA ' HG22 ' B' ' 658' ' ' ILE . 53.9 t -60.92 -39.31 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.156 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.62 -36.23 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -50.71 38.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.696 HG13 HD22 ' C' ' 662' ' ' LEU . 4.8 tt -63.28 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.512 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 13.1 tttt -65.94 -44.06 86.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -48.01 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.708 HD22 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -65.49 -37.5 87.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 179.517 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -33.85 49.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 19.8 m -65.56 -44.7 85.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.441 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.859 ' N ' ' HB2' ' B' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.91 72.85 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.926 0.393 . . . . 0.0 110.635 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.96 136.9 20.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.652 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -73.4 125.8 28.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.714 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.592 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 97.06 -2.77 61.73 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.766 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.83 99.77 52.47 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.646 ' HB3' HH22 ' C' ' 613' ' ' ARG . 92.8 Cg_endo -85.98 166.1 9.91 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.606 2.204 . . . . 0.0 112.98 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.673 ' HE3' ' HA ' ' B' ' 604' ' ' SER . 0.2 OUTLIER -164.35 142.39 6.95 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.049 0.452 . . . . 0.0 111.426 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.89 106.34 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.651 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 9.6 mt-10 -139.56 -60.51 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.951 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.651 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 68.3 Cg_endo -74.83 100.99 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.482 2.121 . . . . 0.0 112.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.72 123.88 23.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.357 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -166.46 172.33 10.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.376 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.683 ' HA ' ' HE3' ' A' ' 598' ' ' LYS . 3.9 m -54.01 -41.2 67.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 9.3 t -63.91 -39.43 94.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -67.1 -35.38 79.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.859 ' HB2' ' N ' ' A' ' 591' ' ' GLY . . . -61.05 -44.48 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -56.84 -44.68 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.425 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' B' ' 612' ' ' LEU . 0.2 OUTLIER -64.52 -34.89 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 -179.425 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.24 58.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 111.768 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.582 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 1.7 tm-20 -56.17 -40.76 74.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.426 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.608 ' O ' HG23 ' C' ' 616' ' ' VAL . 72.7 mt -63.07 -40.44 97.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.116 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.646 HH22 ' HB3' ' C' ' 597' ' ' PRO . 15.8 ttm-85 -59.02 -40.82 86.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.066 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -46.58 80.96 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.588 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -67.24 -33.03 74.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.52 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.608 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.0 t -63.29 -48.87 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -42.87 87.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.338 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.431 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.3 OUTLIER -65.41 -35.28 80.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.698 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -65.01 -40.23 94.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.666 ' HA ' HD12 ' C' ' 623' ' ' ILE . 17.2 ttt180 -66.59 -40.24 88.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.88 -30.39 71.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.653 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' C' ' 619' ' ' LEU . 58.4 mt -67.69 -45.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.0 mt -66.21 -39.29 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.2 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.37 -47.09 87.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.243 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.63 -50.48 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 623' ' ' ILE . 14.3 mtt -57.03 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.419 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 4.4 tmtm? -63.03 -45.52 91.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.89 -37.6 81.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.537 ' HG3' ' HZ1' ' A' ' 631' ' ' LYS . 4.3 tp-100 -67.93 -50.12 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -36.87 80.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.983 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.505 ' HZ1' ' HG3' ' B' ' 629' ' ' GLN . 6.4 mmtt -65.89 -39.76 90.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 632' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -61.65 -35.43 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.42 ' HB3' HG21 ' A' ' 634' ' ' ILE . 28.8 mt-10 -73.07 -38.67 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.02 0.438 . . . . 0.0 111.871 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' B' ' 633' ' ' GLU . 65.5 mt -64.63 -41.94 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.109 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' C' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.425 -179.513 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -40.87 95.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.7 OUTLIER -59.55 -43.47 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 5.3 mt -66.21 -41.75 89.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 12.8 p -61.86 -38.44 88.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.28 -42.01 98.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.429 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.44 -38.44 89.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.13 -39.87 91.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.517 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.402 ' O ' HG13 ' C' ' 647' ' ' ILE . 42.0 mm-40 -65.98 -43.55 87.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.251 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.705 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -68.28 -37.5 80.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.813 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.721 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.8 mttm -60.78 -42.84 98.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.742 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.558 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -63.27 -48.69 77.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.25 -179.647 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.402 HG13 ' O ' ' C' ' 643' ' ' GLU . 34.3 mt -62.02 -34.79 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.052 0.453 . . . . 0.0 111.193 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.447 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 4.2 tmm_? -66.4 -49.58 66.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.064 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.416 ' HG ' HH12 ' C' ' 648' ' ' ARG . 5.1 mt -56.59 -46.28 80.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.35 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.05 -49.64 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.51 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.3 tt0 -58.79 -37.48 76.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -40.19 93.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.18 -45.15 95.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.49 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.452 ' HA ' HG22 ' C' ' 658' ' ' ILE . 53.7 t -60.84 -39.42 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -61.58 -36.19 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -50.78 38.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.736 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.695 HG13 HD22 ' A' ' 662' ' ' LEU . 4.8 tt -63.22 -40.05 87.57 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.69 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.513 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 13.2 tttt -65.94 -44.11 86.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.98 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.696 HD22 HG13 ' B' ' 658' ' ' ILE . 0.2 OUTLIER -65.53 -37.45 86.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -33.82 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 19.6 m -65.56 -44.76 85.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.451 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.68 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.24 61.1 1.68 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.915 0.388 . . . . 0.0 110.625 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 2.4 ttt -130.94 124.94 32.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.621 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.701 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 11.4 mm-40 -69.17 124.39 23.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.68 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 597' ' ' PRO . . . 100.56 -20.42 48.36 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.782 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.93 105.07 16.88 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.605 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 92.9 Cg_endo -84.32 154.49 12.44 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.603 2.202 . . . . 0.0 112.943 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' C' ' 608' ' ' ALA . 2.8 mtpt -160.85 137.35 8.61 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.077 0.465 . . . . 0.0 111.426 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.98 108.89 8.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.595 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.718 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 8.4 mt-10 -138.87 -58.98 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 66.9 Cg_endo -73.93 103.31 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.535 2.157 . . . . 0.0 112.386 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.4 114.36 18.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.334 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.678 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -162.56 169.3 20.46 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.3 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.428 ' HB2' ' CD ' ' B' ' 601' ' ' PRO . 12.1 m -48.65 -36.2 15.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 609' ' ' VAL . 15.1 t -62.78 -52.07 64.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 2.9 mm-40 -64.2 -33.69 76.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -58.61 -43.58 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.826 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -65.46 -39.49 92.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.367 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 605' ' ' SER . 4.0 t -63.2 -37.27 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.716 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 2.6 mt-10 -62.72 -41.0 98.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.175 0.512 . . . . 0.0 111.826 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.47 -38.95 93.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.425 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 616' ' ' VAL . 28.5 mt -64.75 -38.67 91.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 0.0 111.086 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.48 -39.15 89.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.005 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -45.99 88.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.621 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 619' ' ' LEU . 28.5 tt0 -71.78 -34.57 69.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.999 0.428 . . . . 0.0 111.14 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 612' ' ' LEU . 89.8 t -65.66 -48.34 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -49.38 72.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.328 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.99 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.5 ' CD1' ' HG2' ' A' ' 615' ' ' GLN . 0.0 OUTLIER -57.5 -43.42 84.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.042 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 624' ' ' GLU . 0.6 OUTLIER -60.63 -35.32 75.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 621' ' ' SER . . . . . 0.684 ' O ' HG23 ' A' ' 625' ' ' THR . 9.3 t -68.12 -29.6 68.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.56 -34.78 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.623 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.494 HD11 HD23 ' C' ' 619' ' ' LEU . 2.0 mt -68.73 -43.05 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 6.7 mm-40 -67.17 -38.22 85.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 621' ' ' SER . 80.3 p -67.5 -53.21 30.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.488 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 26.9 mtt -61.19 -38.05 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.7 OUTLIER -60.52 -43.45 97.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.032 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.92 -45.17 90.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.75 -40.21 75.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.809 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.56 70.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 10.1 mmtm -67.23 -36.91 82.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -46.72 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.006 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' B' ' 634' ' ' ILE . 20.9 mt-10 -64.95 -36.9 85.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 111.918 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' C' ' 633' ' ' GLU . 40.4 mt -66.32 -43.67 91.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.065 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -43.1 95.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.431 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 638' ' ' LEU . 0.5 OUTLIER -62.5 -30.19 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.468 ' HA ' HD21 ' C' ' 637' ' ' LEU . 3.1 mt -68.4 -45.4 72.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 639' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -63.77 -36.87 85.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.445 ' OE2' HD22 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -64.18 -39.35 93.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.088 0.47 . . . . 0.0 110.872 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.51 -41.33 84.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.782 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.17 -34.85 79.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.468 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 639' ' ' SER . 41.1 mm-40 -61.94 -50.52 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.562 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 3.1 tt0 -64.44 -33.52 76.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.56 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.1 mttm -60.95 -45.56 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -62.03 -45.78 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.48 -39.43 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 121.103 0.478 . . . . 0.0 111.153 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.519 HH21 ' HA ' ' C' ' 644' ' ' GLU . 4.4 tmm_? -64.68 -40.8 96.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.041 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -47.77 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -63.19 -35.73 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.658 HD21 HG21 ' B' ' 655' ' ' VAL . 2.7 tt -60.04 -50.95 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.469 ' N ' HD11 ' C' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.1 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.141 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 54.8 mmm -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.39 -39.96 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.517 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.671 HG21 HD21 ' C' ' 651' ' ' LEU . 5.4 t -65.11 -38.84 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.247 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -66.65 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.02 -51.79 59.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.47 ' HB ' ' HE3' ' B' ' 659' ' ' LYS . 2.4 tt -64.57 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.671 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.485 ' HE3' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.23 -44.76 82.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.812 0.339 . . . . 0.0 111.042 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -49.21 78.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.91 71.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.369 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.447 HD13 HG13 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -68.77 -41.81 78.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.533 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.43 60.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.59 -27.88 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.028 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.678 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 60.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 2.4 ttt -130.92 125.02 32.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.632 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.716 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 11.4 mm-40 -69.17 124.41 23.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.703 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.459 ' O ' ' HD3' ' B' ' 597' ' ' PRO . . . 100.51 -20.4 48.53 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.806 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.9 105.05 16.69 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.5 Cg_endo -84.26 154.4 12.54 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.626 2.218 . . . . 0.0 112.965 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.531 ' O ' ' HB2' ' A' ' 608' ' ' ALA . 2.8 mtpt -160.78 137.37 8.7 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.061 0.458 . . . . 0.0 111.382 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.01 108.93 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.704 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 8.4 mt-10 -138.84 -59.04 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.3 Cg_endo -73.83 103.31 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.473 2.115 . . . . 0.0 112.391 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.44 114.41 18.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.355 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.67 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -162.62 169.18 20.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.307 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.432 ' HB2' ' CD ' ' C' ' 601' ' ' PRO . 11.9 m -48.5 -36.2 14.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.237 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 609' ' ' VAL . 14.9 t -62.84 -52.09 64.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 2.8 mm-40 -64.14 -33.79 76.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -58.6 -43.55 89.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.785 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -65.46 -39.49 92.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.407 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 605' ' ' SER . 4.0 t -63.23 -37.19 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.695 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 2.6 mt-10 -62.88 -40.98 99.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.171 0.51 . . . . 0.0 111.754 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.33 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.476 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.834 ' O ' HG23 ' B' ' 616' ' ' VAL . 28.6 mt -64.79 -38.59 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 111.154 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 613' ' ' ARG . 13.7 ttm180 -61.6 -39.1 90.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.001 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -45.92 88.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.632 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' B' ' 619' ' ' LEU . 28.4 tt0 -71.79 -34.57 69.52 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 612' ' ' LEU . 90.1 t -65.65 -48.4 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -49.39 72.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.367 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -35.94 80.85 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.951 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' B' ' 615' ' ' GLN . 0.0 OUTLIER -57.56 -43.42 84.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' B' ' 624' ' ' GLU . 0.6 OUTLIER -60.6 -35.39 76.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.69 ' O ' HG23 ' B' ' 625' ' ' THR . 9.2 t -68.08 -29.61 68.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.597 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.53 -34.81 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.606 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 619' ' ' LEU . 2.0 mt -68.67 -43.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 6.7 mm-40 -67.22 -38.24 84.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.223 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 625' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 621' ' ' SER . 79.6 p -67.4 -53.27 30.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.078 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.482 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 26.9 mtt -61.1 -38.15 85.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.488 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.7 OUTLIER -60.46 -43.44 96.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -63.82 -45.25 90.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -56.82 -40.17 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -37.54 70.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.973 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 10.2 mmtm -67.11 -36.95 83.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -46.73 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.914 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.413 ' HB3' HG21 ' C' ' 634' ' ' ILE . 20.9 mt-10 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.819 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.7 mt -66.22 -43.74 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.045 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -43.2 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.411 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.955 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' C' ' 638' ' ' LEU . 0.5 OUTLIER -62.61 -30.06 71.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.772 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.483 ' HA ' HD21 ' A' ' 637' ' ' LEU . 3.1 mt -68.46 -45.37 72.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 639' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -63.78 -36.87 85.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 179.754 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.447 ' OE2' HD22 ' C' ' 641' ' ' LEU . 1.0 OUTLIER -64.19 -39.36 93.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.666 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.46 -41.4 84.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.763 179.6 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.12 -34.96 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.441 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 639' ' ' SER . 41.1 mm-40 -61.92 -50.47 72.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.243 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.58 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 3.1 tt0 -64.55 -33.35 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.562 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.1 mttm -61.05 -45.54 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.712 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -61.99 -45.86 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.47 -39.37 85.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 111.192 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.516 HH21 ' HA ' ' A' ' 644' ' ' GLU . 4.3 tmm_? -64.69 -40.86 96.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -47.94 83.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.05 -35.81 81.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.665 HD21 HG21 ' C' ' 655' ' ' VAL . 2.7 tt -60.02 -50.97 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.738 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.474 ' N ' HD11 ' A' ' 651' ' ' LEU . 1.6 tt0 -57.65 -37.05 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 55.1 mmm -64.91 -34.72 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 111.308 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.4 -39.98 85.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.468 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 651' ' ' LEU . 5.5 t -65.16 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -66.67 -35.2 79.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.06 -51.77 59.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.484 ' HB ' ' HE3' ' C' ' 659' ' ' LYS . 2.4 tt -64.61 -29.35 47.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.664 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.47 ' HE3' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.2 -44.79 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -49.31 78.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.87 71.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.373 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.457 HD13 HG13 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -68.8 -41.79 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -28.5 59.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.57 -27.8 68.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.028 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.67 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 61.01 1.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 110.638 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 2.5 ttt -130.9 125.03 32.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.63 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.695 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 11.4 mm-40 -69.15 124.37 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.692 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.45 ' O ' ' HD3' ' C' ' 597' ' ' PRO . . . 100.54 -20.34 48.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.802 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 105.12 17.32 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.567 -0.16 . . . . 0.0 110.567 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.597 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 91.9 Cg_endo -84.23 154.43 12.6 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.65 2.233 . . . . 0.0 112.992 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' B' ' 608' ' ' ALA . 2.8 mtpt -160.82 137.36 8.65 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.011 0.434 . . . . 0.0 111.469 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.98 108.93 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.723 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 8.4 mt-10 -138.9 -59.07 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.723 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.5 Cg_endo -73.88 103.37 1.64 Allowed 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.441 2.094 . . . . 0.0 112.411 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.47 114.39 18.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.68 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -162.62 169.08 20.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.329 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.433 ' HB2' ' CD ' ' A' ' 601' ' ' PRO . 11.7 m -48.39 -36.23 14.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.27 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.541 ' O ' HG23 ' C' ' 609' ' ' VAL . 15.0 t -62.9 -51.98 64.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 2.8 mm-40 -64.18 -33.84 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -58.51 -43.57 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.605 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -65.55 -39.35 91.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.421 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.541 HG23 ' O ' ' C' ' 605' ' ' SER . 4.0 t -63.24 -37.28 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.701 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 2.6 mt-10 -62.76 -41.01 99.02 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.175 0.512 . . . . 0.0 111.793 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.45 -38.92 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.398 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.848 ' O ' HG23 ' C' ' 616' ' ' VAL . 28.7 mt -64.75 -38.62 91.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.198 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' C' ' 613' ' ' ARG . 13.6 ttm180 -61.51 -39.18 90.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.89 89.11 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.684 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.503 ' HG2' ' CD1' ' C' ' 619' ' ' LEU . 28.5 tt0 -71.84 -34.49 69.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.97 0.414 . . . . 0.0 111.166 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.848 HG23 ' O ' ' C' ' 612' ' ' LEU . 89.3 t -65.76 -48.29 82.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -36.01 80.8 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.023 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.503 ' CD1' ' HG2' ' C' ' 615' ' ' GLN . 0.0 OUTLIER -57.57 -43.43 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' C' ' 624' ' ' GLU . 0.6 OUTLIER -60.54 -35.35 75.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.031 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 621' ' ' SER . . . . . 0.698 ' O ' HG23 ' C' ' 625' ' ' THR . 9.3 t -68.13 -29.62 68.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.593 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.51 -34.77 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.696 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 2.1 mt -68.73 -43.04 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 6.7 mm-40 -67.19 -38.14 84.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 625' ' ' THR . . . . . 0.698 HG23 ' O ' ' C' ' 621' ' ' SER . 80.4 p -67.53 -53.33 29.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.477 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 26.9 mtt -61.09 -38.07 84.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.8 OUTLIER -60.52 -43.48 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -63.83 -45.25 90.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -56.78 -40.19 75.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.781 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -37.58 71.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 10.1 mmtm -67.16 -36.93 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -46.74 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.424 ' HB3' HG21 ' A' ' 634' ' ' ILE . 20.9 mt-10 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.051 0.453 . . . . 0.0 111.864 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.6 mt -66.25 -43.76 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.055 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -43.28 95.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.417 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -42.74 99.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 638' ' ' LEU . 0.5 OUTLIER -62.55 -30.16 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.714 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 637' ' ' LEU . 3.1 mt -68.44 -45.4 72.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.109 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 639' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -63.73 -36.85 85.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.75 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.452 ' OE2' HD22 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -64.16 -39.42 93.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.666 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -67.4 -41.36 85.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.829 179.571 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.2 -34.88 79.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.453 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' C' ' 639' ' ' SER . 41.0 mm-40 -61.91 -50.55 71.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.206 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.56 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 3.1 tt0 -64.5 -33.43 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.58 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.1 mttm -60.98 -45.52 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.505 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -62.0 -45.84 91.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.46 -39.36 85.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 111.216 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.526 HH21 ' HA ' ' B' ' 644' ' ' GLU . 4.3 tmm_? -64.67 -40.78 96.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -47.88 84.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -63.17 -35.79 81.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.671 HD21 HG21 ' A' ' 655' ' ' VAL . 2.7 tt -59.99 -50.97 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.468 ' N ' HD11 ' B' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.04 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.174 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 54.6 mmm -64.99 -34.7 79.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.47 -39.83 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.665 HG21 HD21 ' B' ' 651' ' ' LEU . 5.5 t -65.25 -38.82 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -66.65 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.97 -51.92 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.485 ' HB ' ' HE3' ' A' ' 659' ' ' LYS . 2.4 tt -64.53 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.681 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.484 ' HE3' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.15 -44.75 83.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.057 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -49.21 78.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.88 71.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.445 HD13 HG13 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -68.84 -41.75 78.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.48 60.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.56 -27.89 68.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.075 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.705 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.68 53.48 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.647 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.482 ' HB3' ' HE3' ' A' ' 596' ' ' LYS . 6.2 ttt -118.48 126.36 51.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.571 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.536 ' OE1' HG23 ' C' ' 614' ' ' THR . 16.5 mm-40 -71.65 130.58 41.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.713 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.66 -14.22 65.5 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.781 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 593' ' ' MET . 0.9 OUTLIER -109.65 105.36 57.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.559 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.5 Cg_endo -84.89 159.01 11.82 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.587 2.191 . . . . 0.0 113.021 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.683 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -152.71 134.02 14.33 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.052 0.453 . . . . 0.0 111.439 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.13 102.22 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.584 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.677 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.9 OUTLIER -130.95 -60.71 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.992 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.677 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.2 Cg_endo -73.69 119.09 5.73 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.447 2.098 . . . . 0.0 112.417 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.01 72.38 5.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.336 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.71 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -118.11 171.06 8.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.328 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -33.67 55.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 609' ' ' VAL . 2.0 t -65.58 -43.57 89.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.912 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.743 ' OE1' ' HA ' ' A' ' 606' ' ' GLN . 0.0 OUTLIER -69.93 -32.39 70.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.674 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -58.88 -45.37 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.463 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 605' ' ' SER . 34.6 t -63.36 -41.2 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.56 -43.18 99.45 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.145 0.498 . . . . 0.0 111.811 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.586 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 1.0 OUTLIER -58.97 -44.06 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.408 179.403 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' B' ' 613' ' ' ARG . 34.5 mt -63.84 -34.94 79.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.474 HH22 ' HB3' ' A' ' 597' ' ' PRO . 16.2 ttm-85 -62.45 -44.01 97.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.533 HG23 ' OE1' ' B' ' 594' ' ' GLU . 0.2 OUTLIER -61.0 -48.15 83.16 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.567 179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.401 ' HG3' ' CZ ' ' B' ' 620' ' ' ARG . 2.1 tt0 -67.58 -38.14 83.63 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.977 0.417 . . . . 0.0 111.15 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 612' ' ' LEU . 11.0 t -61.48 -49.66 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.416 ' NH1' ' HG3' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -64.0 -46.36 84.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.362 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -30.49 71.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.994 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.516 ' HG ' ' HG3' ' B' ' 620' ' ' ARG . 0.0 OUTLIER -62.14 -48.75 78.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.037 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.931 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -63.41 -44.74 93.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -37.17 70.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.667 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.624 HG22 ' SD ' ' A' ' 626' ' ' MET . 56.3 mt -68.46 -40.88 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.554 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 620' ' ' ARG . 7.8 mt -61.67 -41.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.216 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 9.4 mm-40 -61.72 -42.51 99.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -44.42 96.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.976 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.624 ' SD ' HG22 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.45 -45.87 82.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.79 -27.1 60.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.7 65.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.442 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.66 -36.06 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.427 ' HD3' ' HA ' ' A' ' 631' ' ' LYS . 8.4 mmtt -62.93 -48.33 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -62.63 -37.05 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.025 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.54 -43.13 85.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.061 0.458 . . . . 0.0 111.89 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.502 HG23 HD12 ' C' ' 637' ' ' LEU . 55.4 mt -66.45 -32.93 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.078 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.848 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.1 -44.39 88.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.492 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -38.01 86.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.481 HD12 HG23 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -63.98 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.615 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 635' ' ' LYS . 2.2 mt -62.88 -48.73 77.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.6 -32.05 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.432 ' HB3' HD13 ' B' ' 641' ' ' LEU . 11.6 tt0 -68.27 -41.48 80.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 110.937 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.3 OUTLIER -66.34 -39.25 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.756 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.34 -46.67 89.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.509 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.26 -44.28 88.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.25 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.592 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 2.3 tt0 -70.33 -33.0 70.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.587 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 2.7 mttt -64.6 -46.91 80.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -45.04 95.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.44 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 121.079 0.466 . . . . 0.0 111.227 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.41 HH12 ' HG ' ' A' ' 649' ' ' LEU . 0.9 OUTLIER -68.1 -38.38 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.043 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.41 ' HG ' HH12 ' A' ' 648' ' ' ARG . 1.3 mt -63.94 -44.34 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.34 -28.74 68.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -63.7 -50.09 70.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.556 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.5 tt0 -60.83 -40.66 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.203 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 32.5 mmm -61.72 -39.04 90.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.331 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.469 ' O ' HG22 ' A' ' 658' ' ' ILE . 48.0 tt0 -66.11 -37.4 85.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.522 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.7 t -70.05 -38.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.162 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -64.65 -42.34 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.06 -51.47 67.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 1.008 HG13 HD22 ' B' ' 662' ' ' LEU . 13.6 tt -65.8 -30.88 51.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.718 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.689 ' HA ' HD12 ' C' ' 658' ' ' ILE . 3.6 tttt -67.95 -40.31 83.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -37.73 88.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.431 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -70.93 -39.82 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.362 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 1.049 HD22 HG13 ' C' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.26 -26.58 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -46.2 65.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.71 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 53.4 1.51 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.924 0.392 . . . . 0.0 110.684 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 593' ' ' MET . . . . . 0.486 ' HB3' ' HE3' ' B' ' 596' ' ' LYS . 6.2 ttt -118.42 126.36 51.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.673 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.533 ' OE1' HG23 ' A' ' 614' ' ' THR . 16.5 mm-40 -71.71 130.62 41.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 110.678 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.65 -14.22 65.49 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.786 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.486 ' HE3' ' HB3' ' B' ' 593' ' ' MET . 0.9 OUTLIER -109.61 105.4 57.15 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.586 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 93.1 Cg_endo -84.95 158.95 11.72 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.559 2.173 . . . . 0.0 113.015 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -152.66 134.0 14.36 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.096 0.474 . . . . 0.0 111.442 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.13 102.28 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.565 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.695 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.9 OUTLIER -130.98 -60.77 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.983 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.695 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 68.4 Cg_endo -73.62 119.04 5.72 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.42 2.08 . . . . 0.0 112.43 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -91.99 72.42 5.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.401 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.706 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -118.12 171.07 8.35 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.338 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.47 -33.66 55.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.529 ' O ' HG23 ' B' ' 609' ' ' VAL . 2.0 t -65.57 -43.54 89.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.968 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.728 ' HA ' ' OE1' ' B' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -58.87 -45.35 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.807 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -64.62 -34.78 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.477 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 605' ' ' SER . 34.4 t -63.37 -41.15 91.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.58 -43.18 99.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.102 0.477 . . . . 0.0 111.793 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.561 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 1.0 OUTLIER -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.519 179.385 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' C' ' 613' ' ' ARG . 34.5 mt -63.86 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.127 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.498 HH22 ' HB3' ' B' ' 597' ' ' PRO . 16.2 ttm-85 -62.44 -44.03 97.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.541 HG23 ' OE1' ' C' ' 594' ' ' GLU . 0.2 OUTLIER -61.04 -48.08 83.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.65 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.402 ' HG3' ' CZ ' ' C' ' 620' ' ' ARG . 2.1 tt0 -67.59 -38.1 83.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 612' ' ' LEU . 11.0 t -61.53 -49.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -64.1 -46.34 84.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.308 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -30.58 71.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.523 ' HG ' ' HG3' ' C' ' 620' ' ' ARG . 0.0 OUTLIER -62.13 -48.74 78.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.943 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -63.43 -44.75 93.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -37.28 70.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.639 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.626 HG22 ' SD ' ' B' ' 626' ' ' MET . 56.4 mt -68.4 -40.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.048 0.452 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' B' ' 620' ' ' ARG . 7.8 mt -61.65 -41.8 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 624' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 9.5 mm-40 -61.68 -42.48 98.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.266 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -44.34 97.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.017 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.626 ' SD ' HG22 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -69.16 -29.48 67.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.42 -45.91 82.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.77 -27.08 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.79 65.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.754 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.44 ' HB3' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -68.66 -35.94 77.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.054 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 8.4 mmtt -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.441 ' N ' ' HD2' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -62.66 -37.04 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.007 179.714 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.5 -43.11 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.057 0.456 . . . . 0.0 111.943 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.481 HG23 HD12 ' A' ' 637' ' ' LEU . 55.4 mt -66.44 -32.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.866 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.05 -44.48 88.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.461 -179.561 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -37.97 85.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.498 HD12 HG23 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -64.07 -38.71 92.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' B' ' 635' ' ' LYS . 2.2 mt -62.82 -48.76 77.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.54 -32.12 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.437 ' HB3' HD13 ' C' ' 641' ' ' LEU . 11.7 tt0 -68.36 -41.54 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.3 OUTLIER -66.2 -39.3 89.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.768 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.36 -46.65 89.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.499 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -44.31 88.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.269 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.611 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 2.3 tt0 -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.592 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 2.7 mttt -64.63 -46.94 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.09 95.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.42 -35.32 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 111.168 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.412 HH12 ' HG ' ' B' ' 649' ' ' LEU . 0.9 OUTLIER -68.12 -38.35 82.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.058 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.412 ' HG ' HH12 ' B' ' 648' ' ' ARG . 1.3 mt -64.04 -44.32 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.31 -28.79 68.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.693 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -63.58 -50.16 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.55 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.5 tt0 -60.86 -40.65 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 32.6 mmm -61.69 -39.08 90.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.358 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.482 ' O ' HG22 ' B' ' 658' ' ' ILE . 47.9 tt0 -66.07 -37.45 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.509 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.7 t -70.04 -38.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 111.162 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -64.56 -42.42 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.05 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 1.046 HG13 HD22 ' C' ' 662' ' ' LEU . 13.6 tt -65.76 -30.95 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.66 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 658' ' ' ILE . 3.6 tttt -67.9 -40.36 83.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.79 88.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -70.89 -39.79 72.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.332 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 1.008 HD22 HG13 ' A' ' 658' ' ' ILE . 2.3 tp -66.28 -33.63 76.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -26.61 35.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -46.11 65.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.706 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.604 -0.199 . . . . 0.0 112.604 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.69 53.41 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.012 0.434 . . . . 0.0 110.719 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 593' ' ' MET . . . . . 0.489 ' HB3' ' HE3' ' C' ' 596' ' ' LYS . 6.2 ttt -118.48 126.4 51.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.602 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.541 ' OE1' HG23 ' B' ' 614' ' ' THR . 16.5 mm-40 -71.63 130.62 41.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.771 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.62 -14.22 65.47 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.774 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.489 ' HE3' ' HB3' ' C' ' 593' ' ' MET . 0.9 OUTLIER -109.63 105.38 57.12 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 179.821 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.561 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 93.4 Cg_endo -84.94 159.0 11.74 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.577 2.184 . . . . 0.0 112.962 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.696 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -152.69 134.0 14.34 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.034 0.445 . . . . 0.0 111.433 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.14 102.2 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.622 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.694 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.9 OUTLIER -130.98 -60.65 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.959 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.694 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 68.3 Cg_endo -73.69 119.06 5.72 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.501 2.134 . . . . 0.0 112.408 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -91.99 72.44 5.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.369 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.705 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -118.15 171.01 8.4 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.335 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -33.56 54.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.521 ' O ' HG23 ' C' ' 609' ' ' VAL . 2.0 t -65.66 -43.57 88.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.733 ' HA ' ' OE1' ' C' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -58.81 -45.37 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -64.64 -34.75 79.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.521 HG23 ' O ' ' C' ' 605' ' ' SER . 34.5 t -63.42 -41.1 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.72 -43.04 99.82 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.147 0.499 . . . . 0.0 111.746 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.559 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 1.0 OUTLIER -59.1 -43.9 91.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.433 179.409 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.471 HD21 ' HG3' ' A' ' 613' ' ' ARG . 34.4 mt -63.9 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.107 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.478 HH22 ' HB3' ' C' ' 597' ' ' PRO . 16.2 ttm-85 -62.48 -44.04 97.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.02 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.536 HG23 ' OE1' ' A' ' 594' ' ' GLU . 0.2 OUTLIER -60.96 -48.03 83.68 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.686 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.66 -38.09 83.29 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.109 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.435 HG23 ' O ' ' C' ' 612' ' ' LEU . 10.8 t -61.59 -49.56 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -64.06 -46.42 84.44 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.321 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.533 ' HG ' ' HG3' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -62.08 -48.81 78.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.923 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -63.42 -44.75 93.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.634 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.618 HG22 ' SD ' ' C' ' 626' ' ' MET . 56.0 mt -68.51 -40.83 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.61 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' C' ' 620' ' ' ARG . 7.8 mt -61.66 -41.87 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 624' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 9.6 mm-40 -61.7 -42.51 99.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.193 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -44.46 96.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.998 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.618 ' SD ' HG22 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -69.13 -29.48 67.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -65.5 -45.74 82.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.86 -27.09 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.016 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.75 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.773 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.442 ' HG2' ' HB3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -68.6 -36.05 78.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' C' ' 631' ' ' LYS . 8.4 mmtt -62.96 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 632' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -62.58 -37.12 84.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.974 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.55 -43.11 85.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.929 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.498 HG23 HD12 ' B' ' 637' ' ' LEU . 55.5 mt -66.34 -32.91 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.18 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.838 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.17 -44.47 88.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.51 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -38.0 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.502 HD12 HG23 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -64.06 -38.66 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' C' ' 635' ' ' LYS . 2.2 mt -62.86 -48.78 77.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 23.4 p -60.6 -32.02 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.426 ' HB3' HD13 ' A' ' 641' ' ' LEU . 11.6 tt0 -68.33 -41.53 80.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.3 OUTLIER -66.27 -39.2 89.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.818 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.42 -46.65 89.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.496 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.23 -44.3 88.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.277 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.587 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 2.3 tt0 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.611 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 2.7 mttt -64.71 -46.9 80.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.11 95.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.256 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 18.9 mt -65.42 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.059 0.457 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.409 HH12 ' HG ' ' C' ' 649' ' ' LEU . 0.9 OUTLIER -68.16 -38.3 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.044 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.409 ' HG ' HH12 ' C' ' 648' ' ' ARG . 1.3 mt -64.03 -44.37 92.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.28 -28.8 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.667 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.685 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -63.58 -50.14 70.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.767 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.561 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.6 tt0 -60.87 -40.66 93.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 32.6 mmm -61.7 -38.98 89.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.475 ' O ' HG22 ' C' ' 658' ' ' ILE . 48.0 tt0 -66.19 -37.31 85.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.536 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.685 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.7 t -70.09 -38.21 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.133 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -64.64 -42.36 95.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.1 -51.46 67.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.785 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 1.049 HG13 HD22 ' A' ' 662' ' ' LEU . 13.5 tt -65.8 -30.97 51.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.614 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' B' ' 658' ' ' ILE . 3.6 tttt -67.88 -40.29 83.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -37.74 88.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 661' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 662' ' ' LEU . . . -70.89 -39.8 72.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 1.046 HD22 HG13 ' B' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -26.57 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -46.31 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 64.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.956 0.408 . . . . 0.0 110.723 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttt -140.64 127.57 20.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.619 -179.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.544 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 46.9 mm-40 -65.83 129.66 40.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.724 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.487 ' HA2' ' HG2' ' C' ' 611' ' ' GLU . . . 85.39 5.01 85.53 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.779 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.83 98.1 36.53 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.581 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.7 Cg_endo -84.37 155.3 12.46 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.547 2.165 . . . . 0.0 112.994 -179.573 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 1.4 mtpt -153.52 125.44 7.82 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.075 0.464 . . . . 0.0 111.412 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.2 107.25 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.576 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.679 ' HB3' ' HD3' ' A' ' 601' ' ' PRO . 0.0 OUTLIER -139.47 -66.06 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.925 179.9 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 600' ' ' GLU . 67.0 Cg_endo -73.67 136.77 23.9 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.47 2.113 . . . . 0.0 112.443 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -100.72 59.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.368 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.667 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -96.12 164.2 12.79 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.321 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.55 ' HA ' ' HE2' ' B' ' 598' ' ' LYS . 0.1 OUTLIER -58.15 -37.84 75.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -179.675 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.448 ' HB2' ' HG2' ' B' ' 606' ' ' GLN . 4.7 t -63.05 -39.21 94.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.425 ' HG2' ' HB2' ' C' ' 605' ' ' SER . 0.0 OUTLIER -68.47 -29.35 67.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.571 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -64.87 -37.22 86.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -65.99 -35.27 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.447 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 609' ' ' VAL . 0.4 OUTLIER -69.19 -35.65 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 -179.569 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.525 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 3.7 mt-10 -64.57 -42.18 95.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.218 0.532 . . . . 0.0 111.745 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.58 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 1.0 OUTLIER -61.4 -43.76 98.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.425 179.488 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' B' ' 613' ' ' ARG . 12.2 mt -63.89 -33.91 76.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 111.109 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.458 ' HG3' HD21 ' C' ' 612' ' ' LEU . 40.9 ttm-85 -60.47 -49.48 77.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -48.09 83.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.682 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.91 -45.81 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.56 -45.05 92.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.288 -179.736 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.446 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -64.91 -32.12 73.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.044 179.653 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.479 ' HB3' ' CD2' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.71 -47.49 80.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -64.06 -37.76 88.61 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.416 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 618' ' ' GLU . 75.7 mt -65.69 -44.05 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.615 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.9 mt -65.78 -43.69 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.201 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.5 80.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -42.34 93.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.055 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.53 -35.45 80.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -64.39 -45.86 85.84 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.21 -42.32 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.59 -38.9 89.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -41.14 65.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 10.4 mmtt -62.27 -43.02 99.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.19 85.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.044 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.729 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.5 mt-10 -65.47 -43.67 89.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.044 0.45 . . . . 0.0 111.956 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' C' ' 633' ' ' GLU . 7.1 mt -70.22 -40.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -46.09 89.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.471 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -41.15 99.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.712 HD12 HG23 ' B' ' 634' ' ' ILE . 0.8 OUTLIER -57.2 -40.73 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.633 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.4 mt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.33 -40.86 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -62.68 -47.17 84.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.021 0.439 . . . . 0.0 110.836 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.483 ' CB ' HD11 ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.77 81.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.799 179.581 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.482 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.67 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.57 95.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.24 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.503 ' HG2' ' HE ' ' B' ' 648' ' ' ARG . 1.3 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.05 -45.87 90.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.46 ' HG3' ' HD2' ' A' ' 650' ' ' ARG . 0.1 OUTLIER -65.38 -41.12 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.67 HG13 ' O ' ' A' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.105 0.479 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.492 ' HE ' ' HG2' ' C' ' 644' ' ' GLU . 3.1 tmm_? -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.099 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -50.58 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.46 ' HD2' ' HG3' ' A' ' 646' ' ' LYS . 3.4 mtp180 -62.65 -31.34 72.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.663 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' B' ' 652' ' ' GLN . 0.1 OUTLIER -62.72 -48.36 79.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.665 ' HB2' HD11 ' C' ' 651' ' ' LEU . 5.0 tt0 -60.85 -34.41 74.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mmm -68.98 -31.61 70.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 658' ' ' ILE . 57.2 tt0 -70.01 -39.78 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 651' ' ' LEU . 9.1 t -68.86 -39.11 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.75 -40.65 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 659' ' ' LYS . 5.8 tt -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.0 OUTLIER -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.85 83.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.66 88.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.35 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.676 ' HA ' ' HD3' ' A' ' 665' ' ' LYS . 1.1 tt -70.72 -18.31 62.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.62 30.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.56 -34.81 40.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.676 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.129 -0.938 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.667 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 64.28 1.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.925 0.393 . . . . 0.0 110.631 179.906 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttt -140.71 127.62 20.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.607 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 46.9 mm-40 -65.86 129.69 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.676 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 595' ' ' GLY . . . . . 0.5 ' HA2' ' HG2' ' A' ' 611' ' ' GLU . . . 85.35 5.06 85.58 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.783 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.405 ' O ' ' HB1' ' A' ' 607' ' ' ALA . 0.3 OUTLIER -110.78 98.02 35.99 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 179.856 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.58 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 92.5 Cg_endo -84.27 155.29 12.64 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.595 2.197 . . . . 0.0 113.032 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.571 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 1.4 mtpt -153.5 125.43 7.83 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.04 0.448 . . . . 0.0 111.457 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.22 107.17 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.617 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.655 ' HB3' ' HD3' ' B' ' 601' ' ' PRO . 0.0 OUTLIER -139.34 -66.04 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.02 179.858 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' B' ' 600' ' ' GLU . 67.8 Cg_endo -73.66 136.78 23.94 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.468 2.112 . . . . 0.0 112.403 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -100.73 59.32 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.297 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.662 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -96.16 164.22 12.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.316 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.557 ' HA ' ' HE2' ' C' ' 598' ' ' LYS . 0.1 OUTLIER -58.15 -37.82 75.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.45 ' HB2' ' HG2' ' C' ' 606' ' ' GLN . 4.7 t -63.05 -39.22 94.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.448 ' HG2' ' HB2' ' A' ' 605' ' ' SER . 0.0 OUTLIER -68.42 -29.45 68.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -64.75 -37.32 87.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -65.86 -35.32 80.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.491 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -35.62 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.535 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 3.7 mt-10 -64.64 -42.13 95.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.191 0.519 . . . . 0.0 111.811 179.6 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.569 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 1.0 OUTLIER -61.4 -43.73 98.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.401 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.468 HD21 ' HG3' ' C' ' 613' ' ' ARG . 12.1 mt -63.93 -33.89 76.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.085 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.458 ' HG3' HD21 ' A' ' 612' ' ' LEU . 40.9 ttm-85 -60.44 -49.53 77.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -48.1 83.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.692 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -41.85 93.62 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.92 -45.84 91.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.57 -44.93 92.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.392 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -65.02 -32.06 73.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.74 -47.45 81.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.714 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.8 OUTLIER -63.98 -37.84 88.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.841 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 618' ' ' GLU . 75.5 mt -65.66 -44.06 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.603 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.9 mt -65.79 -43.68 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.194 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.48 80.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.202 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.52 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.34 -45.89 85.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.11 -42.48 93.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.078 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.5 -38.84 88.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 10.4 mmtt -62.26 -43.0 99.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -65.72 -37.27 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.98 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.746 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.5 mt-10 -65.53 -43.71 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.083 0.468 . . . . 0.0 111.893 -179.006 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.729 HG21 ' HB3' ' A' ' 633' ' ' GLU . 7.1 mt -70.09 -40.39 78.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.114 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -46.09 89.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.465 -179.52 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -41.05 99.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.993 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.734 HD12 HG23 ' C' ' 634' ' ' ILE . 0.8 OUTLIER -57.31 -40.68 78.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.744 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.458 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.4 mt -63.11 -45.01 94.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.35 -40.82 87.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -62.75 -47.06 85.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.012 0.434 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.483 HD11 ' CB ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.75 81.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.801 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.51 98.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.5 -179.283 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.66 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.63 96.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.229 179.248 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.506 ' HG2' ' HE ' ' C' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.41 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.14 -45.78 90.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.754 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.459 ' HG3' ' HD2' ' B' ' 650' ' ' ARG . 0.1 OUTLIER -65.28 -41.21 94.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -179.708 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.079 0.466 . . . . 0.0 111.158 -179.588 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.503 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 3.1 tmm_? -64.61 -39.61 94.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.731 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.459 ' HD2' ' HG3' ' B' ' 646' ' ' LYS . 3.5 mtp180 -62.69 -31.28 72.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.639 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' C' ' 652' ' ' GLN . 0.1 OUTLIER -62.7 -48.42 79.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.65 ' HB2' HD11 ' A' ' 651' ' ' LEU . 4.9 tt0 -60.67 -34.53 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.229 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.8 mmm -69.06 -31.48 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.348 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.406 ' O ' HG22 ' B' ' 658' ' ' ILE . 57.2 tt0 -70.04 -39.78 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.469 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 651' ' ' LEU . 9.2 t -68.87 -39.11 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 111.153 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.74 -40.68 92.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -47.54 79.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.764 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' C' ' 659' ' ' LYS . 5.8 tt -66.77 -31.6 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.623 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.0 OUTLIER -64.6 -41.3 96.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.89 83.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.62 88.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.685 ' HA ' ' HD3' ' B' ' 665' ' ' LYS . 1.1 tt -70.8 -18.2 62.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.607 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -19.63 30.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.52 -34.76 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.685 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.54 64.24 1.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.913 0.387 . . . . 0.0 110.695 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttt -140.69 127.51 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.589 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.535 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 46.9 mm-40 -65.8 129.63 40.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.713 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 595' ' ' GLY . . . . . 0.508 ' HA2' ' HG2' ' B' ' 611' ' ' GLU . . . 85.4 4.95 85.55 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.802 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.409 ' O ' ' HB1' ' B' ' 607' ' ' ALA . 0.3 OUTLIER -110.73 98.07 35.94 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.618 -0.142 . . . . 0.0 110.618 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.569 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 93.0 Cg_endo -84.32 155.33 12.54 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.562 2.174 . . . . 0.0 112.984 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 1.4 mtpt -153.52 125.4 7.8 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.039 0.447 . . . . 0.0 111.469 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.29 107.3 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.62 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.689 ' HB3' ' HD3' ' C' ' 601' ' ' PRO . 0.0 OUTLIER -139.48 -66.06 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' C' ' 600' ' ' GLU . 67.6 Cg_endo -73.66 136.75 23.91 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.461 2.107 . . . . 0.0 112.424 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -100.71 59.31 0.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.348 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.669 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -96.15 164.28 12.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.337 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.556 ' HA ' ' HE2' ' A' ' 598' ' ' LYS . 0.1 OUTLIER -58.17 -37.85 75.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.644 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.425 ' HB2' ' HG2' ' A' ' 606' ' ' GLN . 4.7 t -63.04 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.971 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.45 ' HG2' ' HB2' ' B' ' 605' ' ' SER . 0.0 OUTLIER -68.51 -29.32 67.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -64.89 -37.21 86.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -65.95 -35.29 80.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.439 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.411 HG23 ' H ' ' C' ' 609' ' ' VAL . 0.4 OUTLIER -69.23 -35.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.546 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.544 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 3.7 mt-10 -64.68 -42.1 95.59 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 111.739 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.581 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 1.0 OUTLIER -61.38 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.503 179.382 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 613' ' ' ARG . 12.2 mt -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.099 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.468 ' HG3' HD21 ' B' ' 612' ' ' LEU . 40.9 ttm-85 -60.52 -49.53 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.005 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -48.11 83.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.648 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.8 93.51 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.185 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.98 -45.83 91.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.5 -45.01 92.64 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.321 -179.761 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -64.97 -32.13 73.71 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.76 -47.49 80.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.756 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.695 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -63.96 -37.75 88.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.811 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -36.91 85.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.454 HG13 ' O ' ' C' ' 618' ' ' GLU . 75.6 mt -65.72 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.9 mt -65.85 -43.63 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.19 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.42 -46.41 80.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.273 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 19.9 mtt -64.54 -35.54 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.27 -45.88 86.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.24 -42.35 93.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.024 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.53 -38.87 88.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -41.25 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 10.4 mmtt -62.16 -43.05 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.993 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.5 mt-10 -65.46 -43.76 89.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.892 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.746 HG21 ' HB3' ' B' ' 633' ' ' GLU . 7.1 mt -70.14 -40.33 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.128 179.249 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -46.1 89.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.456 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -41.06 99.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.957 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.707 HD12 HG23 ' A' ' 634' ' ' ILE . 0.8 OUTLIER -57.27 -40.73 78.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.452 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.4 mt -63.04 -45.09 93.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.28 -40.91 87.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.66 -47.06 85.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.027 0.441 . . . . 0.0 110.96 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.08 -35.72 81.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.792 179.517 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -41.56 98.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.49 -179.344 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.67 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 mm-40 -64.51 -40.6 95.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.492 ' HG2' ' HE ' ' A' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.4 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.08 -45.86 90.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.445 ' HG3' ' HD2' ' C' ' 650' ' ' ARG . 0.1 OUTLIER -65.31 -41.17 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -179.68 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.67 HG13 ' O ' ' C' ' 643' ' ' GLU . 17.7 mt -65.1 -42.06 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.988 0.423 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.506 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 3.1 tmm_? -64.55 -39.73 94.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -50.64 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.445 ' HD2' ' HG3' ' C' ' 646' ' ' LYS . 3.4 mtp180 -62.73 -31.26 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.684 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 652' ' ' GLN . 0.1 OUTLIER -62.68 -48.38 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.795 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' B' ' 651' ' ' LEU . 4.9 tt0 -60.87 -34.39 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mmm -69.02 -31.64 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 111.336 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.411 ' O ' HG22 ' C' ' 658' ' ' ILE . 57.2 tt0 -69.92 -39.86 75.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 651' ' ' LEU . 9.1 t -68.77 -39.12 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.499 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.8 -40.6 92.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 179.535 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 659' ' ' LYS . 5.8 tt -66.69 -31.56 54.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.67 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.0 OUTLIER -64.63 -41.36 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -47.89 83.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.59 88.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.344 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.669 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.1 tt -70.76 -18.25 62.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.63 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.57 -34.78 40.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.669 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -29.73 57.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 110.693 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.424 ' HG3' HE21 ' B' ' 615' ' ' GLN . 14.6 mtt -144.43 136.08 25.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.627 -179.554 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.6 ' HB3' ' HG3' ' A' ' 597' ' ' PRO . 3.2 tt0 -79.79 -29.69 40.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.749 -179.765 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 133.06 33.37 0.37 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.794 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.523 ' N ' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER 60.48 51.36 2.66 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 179.815 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.6 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 93.8 Cg_endo -84.43 -19.04 4.59 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.526 2.151 . . . . 0.0 112.971 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.602 ' HB3' ' HB3' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -107.6 141.41 39.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.09 0.472 . . . . 0.0 111.393 -179.83 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.86 146.78 46.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.624 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.425 ' HA ' ' CZ ' ' B' ' 613' ' ' ARG . 0.6 OUTLIER -83.37 112.34 38.41 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.974 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.11 -14.92 29.03 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.462 2.108 . . . . 0.0 112.391 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 602' ' ' ALA . . . . . 0.641 ' HB1' ' HB3' ' A' ' 607' ' ' ALA . . . -76.43 132.99 39.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.403 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -67.91 -42.74 80.66 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.326 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.35 152.74 20.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.211 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 609' ' ' VAL . 5.8 m -67.1 -37.47 83.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.914 -179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.4 -44.59 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.641 ' HB3' ' HB1' ' A' ' 602' ' ' ALA . . . -64.17 -43.48 94.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -58.5 -35.98 73.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.437 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.938 HG11 ' HB1' ' C' ' 608' ' ' ALA . 61.7 t -63.63 -39.41 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.53 76.01 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.213 0.53 . . . . 0.0 111.81 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 614' ' ' THR . 35.8 mt-10 -58.72 -39.69 81.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.417 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.89 74.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.815 0.341 . . . . 0.0 111.23 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' C' ' 598' ' ' LYS . 9.4 mmt180 -62.88 -47.14 84.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.042 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 611' ' ' GLU . 0.0 OUTLIER -68.14 -30.07 69.11 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.635 179.892 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.425 HE21 ' HG3' ' C' ' 593' ' ' MET . 2.0 mt-30 -68.19 -46.83 69.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.175 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 619' ' ' LEU . 16.5 m -67.64 -41.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.417 HH21 ' HA ' ' C' ' 598' ' ' LYS . 9.3 tpp180 -58.31 -51.67 68.83 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 -179.739 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.15 72.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 622' ' ' ILE . 8.8 mt -60.42 -38.8 85.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 623' ' ' ILE . 1.6 ttm105 -64.19 -34.61 78.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -31.74 65.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 619' ' ' LEU . 21.1 mt -64.24 -45.74 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.54 -179.578 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.5 mt -66.44 -38.48 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.208 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.28 -48.23 68.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.245 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p -61.87 -42.9 99.62 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.522 ' HB3' ' HG3' ' B' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.15 77.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.544 ' HZ1' ' HB3' ' C' ' 629' ' ' GLN . 0.2 OUTLIER -70.89 -37.09 72.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.876 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.45 -35.43 80.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.539 ' HB3' ' HZ1' ' B' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.71 69.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.458 HE21 ' HG2' ' B' ' 627' ' ' LYS . 1.5 tp-100 -61.03 -46.4 90.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.08 84.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.027 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.87 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.056 0.455 . . . . 0.0 111.887 -179.081 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.579 HG23 HD12 ' C' ' 637' ' ' LEU . 52.4 mt -58.31 -46.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.072 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -43.0 76.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.446 -179.482 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.58 -39.88 92.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.606 HD23 HD12 ' B' ' 641' ' ' LEU . 0.3 OUTLIER -63.2 -34.8 78.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.49 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 0.7 OUTLIER -71.2 -31.13 67.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.763 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.405 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 6.1 tt0 -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.819 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.588 HD12 HD23 ' C' ' 637' ' ' LEU . 0.5 OUTLIER -61.81 -44.58 96.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.705 179.608 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.72 -42.48 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.518 ' O ' HG13 ' A' ' 647' ' ' ILE . 85.3 mt-10 -61.18 -46.58 89.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.646 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 27.0 tt0 -66.25 -33.04 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.643 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 13.5 mmtt -64.02 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -62.93 -48.39 79.11 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -179.654 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 644' ' ' GLU . 2.1 mt -62.3 -38.76 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.115 0.483 . . . . 0.0 111.179 -179.595 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.52 HH11 ' HG3' ' C' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.35 96.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.066 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.746 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.2 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 655' ' ' VAL . 12.8 tp -63.3 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.788 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -44.46 96.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.17 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -39.29 90.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.312 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 658' ' ' ILE . 6.0 tt0 -64.03 -40.43 96.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.483 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 651' ' ' LEU . 73.8 t -64.39 -46.77 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 111.141 -179.495 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -56.19 -39.77 72.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.84 98.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 654' ' ' GLU . 8.5 mt -65.78 -45.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.697 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 663' ' ' GLN . 4.8 tttt -62.06 -44.55 96.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.98 -40.54 96.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.94 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.357 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.826 ' HG ' HD11 ' B' ' 662' ' ' LEU . 1.1 mt -76.71 -31.18 57.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 663' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 7.2 mm100 -86.04 -28.64 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.1 t -70.51 -49.5 47.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.002 179.96 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -29.72 57.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 110.677 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 593' ' ' MET . . . . . 0.417 ' HG3' HE21 ' C' ' 615' ' ' GLN . 14.7 mtt -144.5 136.13 25.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.567 -179.554 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.586 ' HB3' ' HG3' ' B' ' 597' ' ' PRO . 3.2 tt0 -79.77 -29.77 40.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.746 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 133.12 33.32 0.37 Allowed Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.772 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.534 ' N ' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER 60.5 51.36 2.64 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.58 -0.155 . . . . 0.0 110.58 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.586 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.5 Cg_endo -84.39 -19.07 4.62 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.544 2.162 . . . . 0.0 112.992 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.602 ' HB3' ' HB3' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -107.55 141.45 38.98 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.04 0.448 . . . . 0.0 111.418 -179.836 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.96 146.78 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.424 ' HA ' ' CZ ' ' C' ' 613' ' ' ARG . 0.6 OUTLIER -83.31 112.29 37.86 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 179.906 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.15 -14.82 28.86 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.459 2.106 . . . . 0.0 112.395 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 602' ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' B' ' 607' ' ' ALA . . . -76.5 132.94 39.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.387 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -67.87 -42.79 80.75 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.31 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.28 152.79 20.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 -179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.688 ' O ' HG23 ' B' ' 609' ' ' VAL . 5.8 m -67.16 -37.48 83.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.859 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -60.44 -44.52 95.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.64 ' HB3' ' HB1' ' B' ' 602' ' ' ALA . . . -64.19 -43.47 94.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.939 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -58.5 -36.03 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' A' ' 608' ' ' ALA . 61.8 t -63.57 -39.36 85.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.679 -179.544 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.65 75.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 111.764 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.525 ' O ' HG23 ' B' ' 614' ' ' THR . 35.8 mt-10 -58.54 -39.73 81.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.5 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.594 ' HB3' ' HG ' ' A' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.95 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.602 ' HB3' ' HB3' ' A' ' 598' ' ' LYS . 9.4 mmt180 -62.92 -47.01 85.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.047 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.525 HG23 ' O ' ' B' ' 611' ' ' GLU . 0.0 OUTLIER -68.2 -30.15 69.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.545 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.424 HE21 ' HG3' ' A' ' 593' ' ' MET . 2.0 mt-30 -68.14 -46.82 69.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.001 0.429 . . . . 0.0 111.188 -179.451 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.574 ' HA ' HD12 ' B' ' 619' ' ' LEU . 16.4 m -67.63 -41.31 85.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.41 HH21 ' HA ' ' A' ' 598' ' ' LYS . 9.3 tpp180 -58.22 -51.76 68.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.6 -31.12 72.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.683 ' HA ' HD12 ' B' ' 622' ' ' ILE . 8.8 mt -60.45 -38.74 85.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.475 ' HA ' HD12 ' B' ' 623' ' ' ILE . 1.6 ttm105 -64.26 -34.53 78.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -31.7 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' B' ' 619' ' ' LEU . 21.0 mt -64.24 -45.66 95.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.5 mt -66.54 -38.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -48.24 68.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.8 -42.92 99.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.51 ' HB3' ' HG3' ' C' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.16 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.539 ' HZ1' ' HB3' ' A' ' 629' ' ' GLN . 0.2 OUTLIER -70.93 -37.11 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.46 -35.4 80.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.517 ' HB3' ' HZ1' ' C' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.74 68.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.46 HE21 ' HG2' ' C' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.47 90.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.05 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.51 90.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.94 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.8 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 111.846 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.591 HG23 HD12 ' A' ' 637' ' ' LEU . 52.5 mt -58.29 -47.04 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.128 179.246 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -43.02 76.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.428 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.91 92.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.591 HD12 HG23 ' C' ' 634' ' ' ILE . 0.3 OUTLIER -63.11 -34.88 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.612 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.487 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 0.7 OUTLIER -71.21 -31.12 67.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.712 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.409 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 6.1 tt0 -62.15 -41.79 98.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 637' ' ' LEU . 0.5 OUTLIER -61.71 -44.59 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.784 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.71 -42.53 97.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.487 -179.388 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.518 ' O ' HG13 ' B' ' 647' ' ' ILE . 85.3 mt-10 -61.27 -46.48 90.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.249 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.65 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 27.0 tt0 -66.3 -32.96 74.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.922 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.646 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 13.6 mmtt -64.06 -45.12 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -63.04 -48.25 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 644' ' ' GLU . 2.1 mt -62.3 -38.79 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 111.177 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.512 HH11 ' HG3' ' A' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.34 96.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.017 -179.778 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.04 -39.21 93.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -41.18 91.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.652 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.56 ' O ' HG23 ' B' ' 655' ' ' VAL . 12.7 tp -63.29 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.42 96.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.145 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -39.26 89.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.241 -179.653 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.628 ' O ' HG13 ' B' ' 658' ' ' ILE . 6.0 tt0 -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 651' ' ' LEU . 73.8 t -64.33 -46.67 92.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 111.196 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -56.34 -39.84 73.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.23 -43.83 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 654' ' ' GLU . 8.6 mt -65.88 -45.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.614 -179.604 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' B' ' 663' ' ' GLN . 4.8 tttt -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.85 -40.63 97.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.77 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.377 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.826 HD11 ' HG ' ' A' ' 662' ' ' LEU . 1.1 mt -76.78 -31.11 56.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 663' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 659' ' ' LYS . 7.2 mm100 -86.09 -28.64 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.2 t -70.51 -49.47 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.133 -0.936 . . . . 0.0 111.021 -179.98 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -29.71 57.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.898 0.38 . . . . 0.0 110.688 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 593' ' ' MET . . . . . 0.425 ' HG3' HE21 ' A' ' 615' ' ' GLN . 14.6 mtt -144.42 136.05 25.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.631 -179.526 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.58 ' HB3' ' HG3' ' C' ' 597' ' ' PRO . 3.2 tt0 -79.77 -29.74 40.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.748 -179.77 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 133.12 33.34 0.37 Allowed Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.8 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER 60.53 51.27 2.59 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 110.624 -0.139 . . . . 0.0 110.624 179.837 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.58 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 93.5 Cg_endo -84.36 -19.07 4.65 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.606 2.204 . . . . 0.0 113.008 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.588 ' HB3' ' HB3' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -107.52 141.37 39.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.046 0.451 . . . . 0.0 111.413 -179.833 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.91 146.81 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.595 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 0.6 OUTLIER -83.37 112.28 37.95 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.991 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -72.11 -14.93 29.01 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.465 2.11 . . . . 0.0 112.352 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 602' ' ' ALA . . . . . 0.647 ' HB1' ' HB3' ' C' ' 607' ' ' ALA . . . -76.4 133.03 40.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.385 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.72 80.2 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.291 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.31 152.78 20.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.249 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.685 ' O ' HG23 ' C' ' 609' ' ' VAL . 5.8 m -67.04 -37.62 84.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.34 -44.56 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.647 ' HB3' ' HB1' ' C' ' 602' ' ' ALA . . . -64.15 -43.5 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.938 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -58.48 -36.0 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.458 -179.743 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.939 HG11 ' HB1' ' B' ' 608' ' ' ALA . 61.5 t -63.64 -39.36 85.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.636 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.33 -46.52 76.35 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.768 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.52 ' O ' HG23 ' C' ' 614' ' ' THR . 35.8 mt-10 -58.6 -39.75 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.457 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.589 ' HG ' ' HB3' ' A' ' 612' ' ' LEU . 2.0 mm? -65.86 -32.87 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 -179.787 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.602 ' HB3' ' HB3' ' B' ' 598' ' ' LYS . 9.4 mmt180 -62.98 -47.07 84.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.995 -179.733 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.52 HG23 ' O ' ' C' ' 611' ' ' GLU . 0.0 OUTLIER -68.14 -30.1 69.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.609 179.899 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.417 HE21 ' HG3' ' B' ' 593' ' ' MET . 2.0 mt-30 -68.22 -46.82 69.52 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 111.159 -179.45 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' C' ' 619' ' ' LEU . 16.5 m -67.69 -41.19 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.42 HH21 ' HA ' ' B' ' 598' ' ' LYS . 9.3 tpp180 -58.35 -51.62 69.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.761 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.13 72.21 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.012 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' C' ' 622' ' ' ILE . 8.8 mt -60.45 -38.73 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.996 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' C' ' 623' ' ' ILE . 1.6 ttm105 -64.29 -34.5 78.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -31.72 65.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' C' ' 619' ' ' LEU . 21.2 mt -64.15 -45.8 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.623 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.4 mt -66.41 -38.39 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.226 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.35 -48.27 67.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.417 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.75 -42.95 99.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.519 ' HB3' ' HG3' ' A' ' 627' ' ' LYS . 17.5 mtt -65.33 -34.18 77.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.517 ' HZ1' ' HB3' ' B' ' 629' ' ' GLN . 0.2 OUTLIER -70.85 -37.09 73.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.44 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.544 ' HB3' ' HZ1' ' A' ' 627' ' ' LYS . 6.2 tp60 -69.28 -45.71 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.796 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.46 HE21 ' HG2' ' A' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.4 90.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.04 -39.16 84.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 632' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -59.09 -45.52 90.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.01 179.597 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.91 -42.6 99.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 111.843 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.591 HG23 HD12 ' B' ' 637' ' ' LEU . 52.5 mt -58.27 -46.95 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.153 179.205 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -43.04 76.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.4 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.9 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.588 HD23 HD12 ' A' ' 641' ' ' LEU . 0.3 OUTLIER -63.09 -34.89 78.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.506 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 0.7 OUTLIER -71.17 -31.14 67.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.72 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.23 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.2 -41.73 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.43 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.589 HD12 HD23 ' B' ' 637' ' ' LEU . 0.5 OUTLIER -61.68 -44.68 96.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.797 179.489 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.68 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.5 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.521 ' O ' HG13 ' C' ' 647' ' ' ILE . 85.3 mt-10 -61.1 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.195 179.259 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.643 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 27.1 tt0 -66.29 -33.03 74.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.65 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 13.6 mmtt -64.01 -45.12 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -62.96 -48.43 78.9 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' C' ' 644' ' ' GLU . 2.1 mt -62.22 -38.78 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.1 0.476 . . . . 0.0 111.212 -179.638 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.522 HH11 ' HG3' ' B' ' 644' ' ' GLU . 5.6 ttp-105 -64.24 -42.37 96.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.061 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.98 -39.33 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -41.11 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.646 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.575 ' O ' HG23 ' C' ' 655' ' ' VAL . 12.7 tp -63.33 -33.41 75.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -44.51 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.175 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.306 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.612 ' O ' HG13 ' C' ' 658' ' ' ILE . 6.0 tt0 -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.575 HG23 ' O ' ' C' ' 651' ' ' LEU . 74.3 t -64.26 -46.78 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -56.23 -39.8 73.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.612 HG13 ' O ' ' C' ' 654' ' ' GLU . 8.6 mt -65.87 -45.87 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.664 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' C' ' 663' ' ' GLN . 4.8 tttt -62.15 -44.51 96.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -63.93 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.87 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.368 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 662' ' ' LEU . 1.1 mt -76.73 -31.25 57.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.48 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 663' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' C' ' 659' ' ' LYS . 7.3 mm100 -85.96 -28.69 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t -70.39 -49.57 47.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.011 -179.987 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.73 158.28 18.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.404 . . . . 0.0 110.657 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 25.9 mtt -135.31 164.28 28.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.61 -179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' B' ' 620' ' ' ARG . 2.2 mp0 -77.37 -26.27 51.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.684 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.22 -18.19 52.68 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.747 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.519 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 1.0 OUTLIER 53.14 66.3 4.89 Favored Pre-proline 0 CA--C 1.531 0.24 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -86.32 -9.94 6.87 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.596 2.197 . . . . 0.0 113.025 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.63 48.55 2.14 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.056 0.455 . . . . 0.0 111.424 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.685 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -66.73 -30.88 71.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.553 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.558 ' HG3' ' HD2' ' A' ' 601' ' ' PRO . 2.6 tp10 -82.48 135.88 46.26 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.962 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.558 ' HD2' ' HG3' ' A' ' 600' ' ' GLU . 68.0 Cg_endo -72.39 166.3 30.17 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.515 2.143 . . . . 0.0 112.446 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -60.62 154.57 20.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.378 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.89 73.51 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.34 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.56 155.91 19.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.596 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.622 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.0 m -72.7 -46.4 53.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 606' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 1.4 tt0 -70.79 -38.15 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.74 -34.53 78.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.25 -49.15 46.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.435 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 605' ' ' SER . 25.9 t -63.67 -48.17 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.612 -179.518 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 0.1 OUTLIER -53.21 -53.6 48.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 111.7 179.636 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.409 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 17.5 mt-10 -66.04 -25.89 67.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.452 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.1 OUTLIER -66.57 -50.34 63.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.767 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -65.26 -40.72 94.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.002 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 32.2 p -63.56 -27.75 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.662 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.795 ' HB3' HG11 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -70.88 -51.14 28.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 -179.482 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.806 HG11 ' HB3' ' C' ' 615' ' ' GLN . 1.9 t -63.96 -39.43 85.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.681 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.0 OUTLIER -60.07 -44.98 94.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.254 -179.743 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -42.12 91.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 1.016 ' HA ' HD12 ' A' ' 622' ' ' ILE . 7.5 tp -65.28 -34.7 78.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.589 ' HD2' HD13 ' C' ' 619' ' ' LEU . 2.2 tpt180 -60.56 -45.91 92.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 621' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' C' ' 594' ' ' GLU . 4.1 m -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.566 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 1.016 HD12 ' HA ' ' A' ' 619' ' ' LEU . 5.8 mt -69.04 -34.68 65.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.589 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.741 HD11 HD11 ' C' ' 623' ' ' ILE . 1.1 mp -61.24 -45.32 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 624' ' ' GLU . . . . . 0.405 ' HB2' ' OE1' ' C' ' 594' ' ' GLU . 7.9 tt0 -65.46 -40.36 93.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.221 -179.381 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -66.27 -39.07 89.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.975 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.15 -41.6 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.606 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 7.8 ttmm -64.22 -42.52 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.02 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.93 -27.52 60.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 6.4 tt0 -67.19 -47.95 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 0.1 OUTLIER -63.65 -41.23 98.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.024 -179.786 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.604 ' O ' HG13 ' A' ' 634' ' ' ILE . 18.3 mttt -59.81 -41.92 92.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -68.01 -42.88 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 93.2 mt-10 -61.54 -48.63 80.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.86 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.0 OUTLIER -65.83 -33.97 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.079 179.253 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 638' ' ' LEU . 40.2 mttt -58.77 -48.8 80.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.472 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.49 91.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.985 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.53 -45.85 88.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 635' ' ' LYS . 2.6 mt -60.81 -45.81 92.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -35.77 78.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.2 -43.52 86.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.959 0.409 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.575 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.6 OUTLIER -65.87 -36.0 82.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.819 179.582 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -44.94 83.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -39.99 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 179.231 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -35.46 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.32 -36.81 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.69 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.19 -37.76 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.159 -179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -65.14 -43.76 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.022 -179.773 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 649' ' ' LEU . . . . . 0.543 ' O ' ' HG2' ' A' ' 653' ' ' MET . 2.9 mt -58.86 -41.36 86.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.829 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -39.45 93.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.694 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.706 HD22 ' HG2' ' B' ' 652' ' ' GLN . 45.5 tp -67.09 -39.14 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.759 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.705 ' HG2' HD22 ' C' ' 651' ' ' LEU . 0.0 OUTLIER -57.54 -43.48 84.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.171 -179.881 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 653' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 649' ' ' LEU . 18.9 mmt -66.56 -41.21 88.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.314 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.666 ' O ' HG13 ' A' ' 658' ' ' ILE . 34.7 tt0 -61.34 -40.77 95.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.503 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.9 t -65.32 -42.02 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.64 94.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.51 98.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.754 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.666 HG13 ' O ' ' A' ' 654' ' ' GLU . 10.3 mt -71.42 -35.35 56.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.643 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -50.15 68.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -69.01 -32.9 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.62 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.322 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.586 ' HA ' ' HD3' ' A' ' 665' ' ' LYS . 1.3 tt -63.62 -33.44 75.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.558 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.3 -29.18 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p -77.3 -17.7 58.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.055 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.63 158.14 18.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.655 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 25.9 mtt -135.23 164.34 27.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.647 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' C' ' 620' ' ' ARG . 2.2 mp0 -77.4 -26.25 51.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.689 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.12 -18.08 52.93 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.822 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.528 ' HA ' ' HD3' ' C' ' 617' ' ' ARG . 1.0 OUTLIER 53.06 66.42 4.8 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 110.579 -0.156 . . . . 0.0 110.579 179.754 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -86.31 -10.06 6.81 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.552 2.168 . . . . 0.0 112.986 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.59 48.58 2.14 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.002 0.43 . . . . 0.0 111.413 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.705 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -66.66 -30.97 71.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.529 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.571 ' HG3' ' HD2' ' B' ' 601' ' ' PRO . 2.6 tp10 -82.42 135.92 46.43 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.952 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.571 ' HD2' ' HG3' ' B' ' 600' ' ' GLU . 67.9 Cg_endo -72.42 166.29 30.23 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.469 2.113 . . . . 0.0 112.425 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -60.53 154.56 20.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.335 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.85 73.55 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.29 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.62 155.94 19.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.628 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.0 m -72.74 -46.34 53.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.866 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 1.4 tt0 -70.73 -38.25 73.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.2 -49.26 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.439 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 605' ' ' SER . 25.8 t -63.59 -48.22 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 0.1 OUTLIER -53.12 -53.61 47.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.158 0.504 . . . . 0.0 111.781 179.616 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.414 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 17.5 mt-10 -66.08 -25.89 67.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.43 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 612' ' ' LEU . 0.1 OUTLIER -66.56 -50.37 63.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.132 -179.775 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -65.31 -40.61 94.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 32.1 p -63.61 -27.76 69.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.663 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.796 ' HB3' HG11 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -70.91 -51.11 28.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 111.098 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.795 HG11 ' HB3' ' A' ' 615' ' ' GLN . 1.9 t -63.93 -39.51 85.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.685 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -60.05 -44.97 94.32 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.327 -179.702 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -42.15 91.4 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.942 ' HA ' HD12 ' B' ' 622' ' ' ILE . 7.5 tp -65.31 -34.66 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.01 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.576 ' HD2' HD13 ' A' ' 619' ' ' LEU . 2.2 tpt180 -60.58 -45.88 92.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 594' ' ' GLU . 4.1 m -60.02 -36.57 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.942 HD12 ' HA ' ' B' ' 619' ' ' LEU . 5.7 mt -69.04 -34.74 65.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.587 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 623' ' ' ILE . 1.1 mp -61.24 -45.31 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 624' ' ' GLU . . . . . 0.416 ' HB2' ' OE1' ' A' ' 594' ' ' GLU . 7.9 tt0 -65.48 -40.28 92.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.222 -179.339 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 625' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.013 179.782 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 7.4 ttm -68.25 -41.6 80.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 7.8 ttmm -64.18 -42.51 96.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.85 -27.59 60.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 6.4 tt0 -67.17 -48.01 69.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 0.1 OUTLIER -63.58 -41.25 98.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.752 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.607 ' O ' HG13 ' B' ' 634' ' ' ILE . 18.3 mttt -59.85 -41.93 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -67.96 -43.01 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.956 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 93.2 mt-10 -61.45 -48.66 80.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 111.872 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.0 OUTLIER -65.79 -33.94 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' B' ' 638' ' ' LEU . 39.9 mttt -58.95 -48.74 80.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.449 -179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -38.62 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.52 -45.86 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 635' ' ' LYS . 2.6 mt -60.84 -45.82 92.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.17 -43.52 86.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.79 -36.11 82.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.791 179.563 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -45.01 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.529 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -40.04 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.227 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -35.63 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.26 -36.8 85.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.727 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -55.72 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 -179.619 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.24 -37.68 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.197 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.614 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -65.13 -43.77 90.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.055 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 649' ' ' LEU . . . . . 0.538 ' O ' ' HG2' ' B' ' 653' ' ' MET . 2.9 mt -58.89 -41.27 86.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.4 93.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 655' ' ' VAL . 45.5 tp -67.05 -39.2 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.706 ' HG2' HD22 ' A' ' 651' ' ' LEU . 0.0 OUTLIER -57.51 -43.46 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.152 -179.831 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 653' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' B' ' 649' ' ' LEU . 18.9 mmt -66.6 -41.2 88.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.323 -179.716 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.666 ' O ' HG13 ' B' ' 658' ' ' ILE . 34.7 tt0 -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.536 179.573 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 651' ' ' LEU . 43.0 t -65.35 -42.0 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.69 94.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.824 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -42.46 98.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.666 HG13 ' O ' ' B' ' 654' ' ' GLU . 10.3 mt -71.37 -35.39 57.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.623 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -50.17 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.02 -32.85 72.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.966 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.59 81.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.317 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.59 ' HA ' ' HD3' ' B' ' 665' ' ' LYS . 1.3 tt -63.69 -33.36 75.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.41 -29.07 34.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.1 p -77.42 -17.7 57.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.59 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.581 -0.207 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -87.67 158.16 18.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.706 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 25.9 mtt -135.23 164.33 27.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.623 -179.53 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.542 ' HG2' ' HG2' ' A' ' 620' ' ' ARG . 2.2 mp0 -77.4 -26.26 51.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.703 -179.801 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.18 -18.12 52.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.802 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.526 ' HA ' ' HD3' ' A' ' 617' ' ' ARG . 1.0 OUTLIER 53.1 66.26 4.95 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 110.676 -0.12 . . . . 0.0 110.676 179.856 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -86.22 -10.1 6.9 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.654 2.236 . . . . 0.0 113.001 -179.552 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.61 48.62 2.13 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.054 0.454 . . . . 0.0 111.416 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.681 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -66.7 -30.93 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.52 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.568 ' HG3' ' HD2' ' C' ' 601' ' ' PRO . 2.6 tp10 -82.52 135.98 46.03 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.568 ' HD2' ' HG3' ' C' ' 600' ' ' GLU . 67.7 Cg_endo -72.45 166.26 30.33 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.456 2.104 . . . . 0.0 112.396 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -60.47 154.58 20.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.376 -179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.88 73.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.358 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.53 155.92 19.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.636 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.0 m -72.77 -46.37 53.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.874 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 606' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 1.4 tt0 -70.67 -38.32 73.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.56 78.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.15 46.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.489 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.636 HG23 ' O ' ' C' ' 605' ' ' SER . 25.7 t -63.63 -48.23 87.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 -179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 0.1 OUTLIER -53.1 -53.61 47.88 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 111.803 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 17.4 mt-10 -66.12 -25.88 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.388 179.441 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -66.53 -50.45 63.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 -179.817 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -65.25 -40.62 94.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 32.0 p -63.67 -27.67 69.38 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.664 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.806 ' HB3' HG11 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -70.95 -51.12 27.7 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 111.166 -179.523 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' B' ' 615' ' ' GLN . 1.9 t -63.92 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.705 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -60.03 -45.0 94.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.327 -179.729 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -42.19 91.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.974 ' HA ' HD12 ' C' ' 622' ' ' ILE . 7.4 tp -65.34 -34.6 78.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' B' ' 619' ' ' LEU . 2.2 tpt180 -60.59 -45.92 92.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 621' ' ' SER . . . . . 0.465 ' HA ' ' H ' ' B' ' 594' ' ' GLU . 4.1 m -60.01 -36.61 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.531 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.974 HD12 ' HA ' ' C' ' 619' ' ' LEU . 5.7 mt -69.03 -34.69 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.63 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.741 HD11 HD11 ' A' ' 623' ' ' ILE . 1.1 mp -61.18 -45.29 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.282 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 624' ' ' GLU . . . . . 0.414 ' HB2' ' OE1' ' B' ' 594' ' ' GLU . 7.9 tt0 -65.49 -40.32 92.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -179.388 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 625' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -66.29 -39.06 89.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.034 179.814 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.23 -41.51 81.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.983 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 7.9 ttmm -64.33 -42.49 96.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.83 -27.57 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 6.5 tt0 -67.28 -47.92 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 0.1 OUTLIER -63.67 -41.18 98.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.002 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.609 ' O ' HG13 ' C' ' 634' ' ' ILE . 18.3 mttt -59.83 -41.93 92.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -68.02 -42.93 79.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.945 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 93.2 mt-10 -61.46 -48.68 80.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.609 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.0 OUTLIER -65.81 -33.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.055 179.28 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' C' ' 638' ' ' LEU . 40.1 mttt -58.83 -48.8 80.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.448 -179.514 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -38.64 91.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.56 -45.85 88.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' C' ' 635' ' ' LYS . 2.6 mt -60.79 -45.79 93.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -35.75 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.76 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.29 -43.42 86.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.758 179.571 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -45.04 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -40.01 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.232 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -35.57 81.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.29 -36.83 85.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.72 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.22 -37.71 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.037 0.446 . . . . 0.0 111.202 -179.65 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.638 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -65.12 -43.76 90.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.021 -179.826 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 649' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' C' ' 653' ' ' MET . 2.9 mt -58.9 -41.29 86.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.42 93.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.705 HD22 ' HG2' ' A' ' 652' ' ' GLN . 45.6 tp -67.03 -39.2 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.745 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.688 ' HG2' HD22 ' B' ' 651' ' ' LEU . 0.0 OUTLIER -57.61 -43.37 84.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.152 -179.774 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 653' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' C' ' 649' ' ' LEU . 19.0 mmt -66.64 -41.19 88.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.668 ' O ' HG13 ' C' ' 658' ' ' ILE . 34.8 tt0 -61.3 -40.83 95.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.548 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.68 HG23 ' O ' ' C' ' 651' ' ' LEU . 43.1 t -65.34 -41.96 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -39.66 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -42.47 98.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.735 179.595 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.668 HG13 ' O ' ' C' ' 654' ' ' GLU . 10.3 mt -71.39 -35.27 56.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.721 -179.703 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -50.16 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 660' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' C' ' 660' ' ' LYS . 18.6 mtmt -69.02 -32.87 72.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.51 -40.53 80.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.581 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.3 tt -63.75 -33.37 75.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.33 -29.17 34.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p -77.3 -17.75 58.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 591' ' ' GLY . . . . . 0.479 ' N ' ' CA ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.2 81.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.964 0.411 . . . . 0.0 110.644 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.8 tpt -135.23 123.73 23.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.622 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.796 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 3.7 mm-40 -72.7 135.62 45.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.706 -179.715 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.75 80.02 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.758 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.92 121.0 25.5 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.586 -0.153 . . . . 0.0 110.586 179.841 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -85.14 147.92 10.35 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.672 2.248 . . . . 0.0 113.026 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' C' ' 608' ' ' ALA . 0.4 OUTLIER -157.81 124.05 4.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.055 0.455 . . . . 0.0 111.409 -179.881 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.81 106.78 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.687 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 2.1 mm-40 -134.83 -60.39 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.978 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.687 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 68.0 Cg_endo -74.07 123.24 8.21 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.446 2.097 . . . . 0.0 112.353 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -90.83 96.3 10.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.37 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 603' ' ' ALA . . . . . 0.478 ' CA ' ' N ' ' B' ' 591' ' ' GLY . . . -142.13 169.51 17.44 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.358 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' B' ' 601' ' ' PRO . 1.3 m -54.21 -37.62 64.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 2.1 t -62.1 -48.05 81.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.835 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.37 84.6 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.23 77.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.53 83.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.471 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.52 -29.83 46.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.786 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 1.5 mt-10 -68.07 -41.04 82.53 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.17 0.509 . . . . 0.0 111.74 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.91 99.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.481 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.858 HD21 ' HA ' ' B' ' 613' ' ' ARG . 10.0 mt -66.03 -38.53 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.078 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.856 ' HA ' HD21 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -56.08 -47.01 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.003 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.22 -41.51 98.46 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.409 ' HG3' ' NH1' ' B' ' 620' ' ' ARG . 31.6 tt0 -69.64 -36.01 75.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.937 0.399 . . . . 0.0 111.15 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.825 HG21 HD22 ' C' ' 612' ' ' LEU . 67.5 t -66.39 -46.44 86.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.05 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.347 -179.752 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -35.82 81.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.621 HD23 HD11 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.88 93.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.782 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.615 ' HB2' HD11 ' C' ' 619' ' ' LEU . 11.9 ttm180 -65.79 -36.25 83.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.31 -30.25 70.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.49 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 626' ' ' MET . 6.0 mt -69.85 -44.29 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.068 0.461 . . . . 0.0 111.626 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.699 HD13 HG12 ' C' ' 623' ' ' ILE . 3.8 mt -63.74 -35.57 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.243 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -42.83 78.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 -179.385 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.6 -40.63 76.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.983 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.482 ' SD ' HG22 ' B' ' 623' ' ' ILE . 9.5 mtt -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.434 ' HD3' ' HE2' ' A' ' 631' ' ' LYS . 0.9 OUTLIER -61.64 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -39.04 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.008 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.65 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -66.33 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.018 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.434 ' HE2' ' HD3' ' A' ' 627' ' ' LYS . 8.6 mmtt -66.37 -46.03 78.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -37.76 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.011 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.485 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.6 mm-40 -64.98 -46.98 79.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.998 0.428 . . . . 0.0 111.848 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' C' ' 633' ' ' GLU . 1.7 mt -63.07 -37.98 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.072 179.234 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.6 OUTLIER -63.99 -41.87 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.477 -179.551 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -35.17 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.947 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' B' ' 638' ' ' LEU . 4.6 mt -65.69 -44.67 85.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 635' ' ' LYS . 4.0 mt -61.72 -39.16 90.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -39.87 90.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.77 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.585 ' OE1' HD13 ' B' ' 641' ' ' LEU . 36.1 tt0 -67.94 -39.62 83.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.46 -40.67 96.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.759 179.58 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.05 -32.44 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.501 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -64.62 -47.63 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.231 179.231 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.449 ' HG3' ' HE ' ' B' ' 648' ' ' ARG . 65.2 tt0 -65.52 -34.74 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.95 -40.16 88.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -40.27 89.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 643' ' ' GLU . 3.8 mt -70.63 -38.35 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.01 0.434 . . . . 0.0 111.202 -179.696 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 1.0 OUTLIER -68.12 -40.78 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.991 -179.832 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -43.81 91.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -67.08 -34.27 77.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.618 ' HG ' ' HG3' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -60.34 -46.94 88.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.3 tt0 -59.21 -40.42 85.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.198 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.53 -31.13 71.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 111.344 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 658' ' ' ILE . 22.6 tt0 -67.88 -48.7 65.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.539 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 651' ' ' LEU . 2.9 t -63.11 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -66.17 -39.16 89.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.96 55.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 654' ' ' GLU . 2.2 tt -64.2 -28.31 44.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.671 -179.658 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -70.7 -44.45 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.041 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.56 80.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.28 59.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.4 HD22 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.93 -31.18 71.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.504 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -28.53 44.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m -70.48 -39.17 74.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.073 -0.965 . . . . 0.0 111.103 179.931 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 591' ' ' GLY . . . . . 0.478 ' N ' ' CA ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 81.5 1.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.911 0.386 . . . . 0.0 110.59 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.8 tpt -135.2 123.74 23.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.593 -179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.786 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 3.7 mm-40 -72.68 135.57 45.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.63 0.252 . . . . 0.0 110.733 -179.812 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 77.56 16.55 80.12 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.754 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.79 121.04 25.62 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -85.32 147.99 10.15 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.52 2.147 . . . . 0.0 112.968 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.73 123.98 4.8 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.994 0.426 . . . . 0.0 111.508 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.83 106.87 6.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.504 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.69 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 2.2 mm-40 -134.84 -60.35 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.042 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.69 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.1 Cg_endo -74.16 123.28 8.19 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.439 2.093 . . . . 0.0 112.398 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -90.88 96.31 10.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.364 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 603' ' ' ALA . . . . . 0.469 ' CA ' ' N ' ' C' ' 591' ' ' GLY . . . -142.2 169.48 17.5 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.331 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 604' ' ' SER . . . . . 0.436 ' HB2' ' HD2' ' C' ' 601' ' ' PRO . 1.3 m -54.09 -37.64 64.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -179.713 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.0 t -62.01 -48.08 81.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -37.3 84.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.18 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.398 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.51 -29.87 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.804 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 1.5 mt-10 -68.06 -40.96 82.68 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.206 0.527 . . . . 0.0 111.836 179.597 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.89 99.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.447 179.4 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.855 HD21 ' HA ' ' C' ' 613' ' ' ARG . 10.0 mt -65.92 -38.56 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.858 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.1 OUTLIER -56.12 -46.95 78.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.748 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.604 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.405 ' HG3' ' NH1' ' C' ' 620' ' ' ARG . 31.6 tt0 -69.63 -36.12 75.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 111.086 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 612' ' ' LEU . 68.6 t -66.31 -46.48 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.0 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.362 -179.768 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -35.77 81.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.629 HD23 HD11 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.89 93.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 -179.805 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.618 ' HB2' HD11 ' A' ' 619' ' ' LEU . 11.9 ttm180 -65.84 -36.21 82.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.35 -30.3 70.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.62 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' B' ' 626' ' ' MET . 6.1 mt -69.83 -44.3 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.635 -179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.681 HG12 HD13 ' C' ' 623' ' ' ILE . 3.9 mt -63.75 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.85 79.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.52 -40.68 76.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.03 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.484 ' SD ' HG22 ' C' ' 623' ' ' ILE . 9.5 mtt -62.97 -40.04 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.419 ' HD3' ' HE2' ' B' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.75 98.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.044 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.86 -39.05 90.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.075 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.68 79.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.478 ' O ' HD12 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -66.38 -32.13 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.717 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.419 ' HE2' ' HD3' ' B' ' 627' ' ' LYS . 8.5 mmtt -66.48 -46.0 77.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -37.84 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.032 179.649 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.503 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.6 mm-40 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.063 0.459 . . . . 0.0 111.885 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' A' ' 633' ' ' GLU . 1.7 mt -63.1 -37.98 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.03 179.281 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.6 OUTLIER -64.0 -41.85 97.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.462 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -35.14 80.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' C' ' 638' ' ' LEU . 4.6 mt -65.73 -44.66 85.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' B' ' 635' ' ' LYS . 4.1 mt -61.68 -39.31 90.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.082 -179.722 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -39.94 90.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.591 ' OE1' HD13 ' C' ' 641' ' ' LEU . 36.0 tt0 -67.91 -39.66 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.8 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.38 -40.76 96.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.778 179.524 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.94 -32.54 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.524 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.462 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.1 OUTLIER -64.56 -47.68 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.252 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.437 ' HG3' ' HE ' ' C' ' 648' ' ' ARG . 65.2 tt0 -65.48 -34.89 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.81 -40.16 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.4 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 643' ' ' GLU . 3.8 mt -70.56 -38.42 73.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 111.232 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.521 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.74 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.038 -179.82 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -43.92 91.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.764 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.89 -34.38 77.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.688 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.624 ' HG ' ' HG3' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.01 87.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.708 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.618 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 2.3 tt0 -59.1 -40.45 85.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.199 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.7 -30.93 71.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.338 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.564 ' O ' HG22 ' B' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.69 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 651' ' ' LEU . 2.8 t -63.08 -35.56 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 0.0 111.171 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -66.22 -39.06 89.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -52.99 55.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.746 179.547 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.564 HG22 ' O ' ' B' ' 654' ' ' GLU . 2.2 tt -64.16 -28.32 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.694 -179.735 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -70.64 -44.44 67.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.026 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -35.56 80.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.7 -37.28 59.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.306 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -66.1 -31.09 71.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 179.62 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -28.51 44.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 2.7 m -70.51 -39.18 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.025 179.992 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 591' ' ' GLY . . . . . 0.469 ' N ' ' CA ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 81.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.926 0.393 . . . . 0.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.8 tpt -135.28 123.74 23.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.541 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.804 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 3.7 mm-40 -72.59 135.5 45.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.754 -179.833 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.77 80.03 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.757 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.87 121.02 25.54 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -85.22 148.01 10.28 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.581 2.187 . . . . 0.0 113.016 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' B' ' 608' ' ' ALA . 0.4 OUTLIER -157.84 123.98 4.74 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.047 0.451 . . . . 0.0 111.438 -179.836 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.78 106.82 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.553 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.68 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 2.1 mm-40 -134.84 -60.33 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.958 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.68 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 66.8 Cg_endo -74.17 123.2 8.13 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.471 2.114 . . . . 0.0 112.38 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -90.84 96.32 10.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.399 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 603' ' ' ALA . . . . . 0.479 ' CA ' ' N ' ' A' ' 591' ' ' GLY . . . -142.18 169.55 17.37 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.34 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 604' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 601' ' ' PRO . 1.3 m -54.22 -37.57 64.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 -179.634 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 2.1 t -62.08 -48.04 81.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.34 84.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.09 77.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -66.26 -36.58 83.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.449 -179.802 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.57 -29.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.517 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.796 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 1.5 mt-10 -68.1 -40.99 82.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 111.717 179.569 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.413 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 613' ' ' ARG . 10.0 mt -65.93 -38.54 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.855 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.1 OUTLIER -56.15 -46.89 79.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.019 -179.742 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.3 -41.47 98.53 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.624 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.414 ' HG3' ' NH1' ' A' ' 620' ' ' ARG . 31.5 tt0 -69.67 -36.04 75.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.115 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.816 HG21 HD22 ' B' ' 612' ' ' LEU . 68.5 t -66.31 -46.45 87.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.255 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -63.35 -45.23 92.17 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.334 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.66 -43.93 93.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 -179.878 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' B' ' 619' ' ' LEU . 11.9 ttm180 -65.86 -36.25 82.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.36 -30.22 69.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.617 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' C' ' 626' ' ' MET . 6.0 mt -69.88 -44.25 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.662 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 623' ' ' ILE . 3.9 mt -63.74 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.245 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -42.85 79.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.49 -40.72 76.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.003 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.477 ' SD ' HG22 ' A' ' 623' ' ' ILE . 9.5 mtt -62.94 -40.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.424 ' HD3' ' HE2' ' C' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.7 98.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -39.02 90.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -63.92 -47.68 79.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.482 ' O ' HD12 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -66.35 -32.15 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.424 ' HE2' ' HD3' ' C' ' 627' ' ' LYS . 8.6 mmtt -66.46 -46.0 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.86 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.956 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.6 mm-40 -64.92 -47.03 79.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.083 0.468 . . . . 0.0 111.907 -178.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.503 HG21 ' HB3' ' B' ' 633' ' ' GLU . 1.7 mt -62.97 -38.0 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.106 179.193 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.557 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.6 OUTLIER -64.04 -41.84 97.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.43 -179.528 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -35.22 80.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 638' ' ' LEU . 4.7 mt -65.65 -44.75 85.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.789 179.643 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' C' ' 635' ' ' LYS . 4.0 mt -61.59 -39.3 90.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.95 91.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.592 ' OE1' HD13 ' A' ' 641' ' ' LEU . 36.1 tt0 -67.95 -39.63 83.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.804 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.4 -40.68 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 179.491 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.481 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.455 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.1 OUTLIER -64.61 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.205 179.276 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.441 ' HG3' ' HE ' ' A' ' 648' ' ' ARG . 65.2 tt0 -65.39 -34.95 79.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.74 -40.26 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.33 89.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.455 HG13 ' O ' ' C' ' 643' ' ' GLU . 3.8 mt -70.63 -38.38 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.072 0.463 . . . . 0.0 111.21 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.521 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.78 82.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.84 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -43.9 91.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.94 -34.28 77.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.627 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.04 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.624 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 2.3 tt0 -59.16 -40.42 85.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.19 -179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.62 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 111.343 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.557 ' O ' HG22 ' C' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.7 65.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.522 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.516 HG23 ' O ' ' C' ' 651' ' ' LEU . 2.9 t -63.08 -35.58 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -66.14 -39.1 89.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.98 55.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.497 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 654' ' ' GLU . 2.2 tt -64.18 -28.33 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.674 -179.713 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.483 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -70.66 -44.42 67.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.0 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -35.57 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.65 -37.23 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.384 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -31.18 71.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.521 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -28.5 44.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m -70.46 -39.2 74.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.018 -179.949 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -65.07 135.99 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.644 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.06 174.1 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.551 -179.467 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' B' ' 621' ' ' SER . 4.8 tp10 -81.82 -50.32 9.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.704 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 116.92 -29.96 6.58 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.743 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.599 ' HE3' ' HA ' ' B' ' 618' ' ' GLU . 1.0 OUTLIER 56.6 70.97 1.26 Allowed Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 179.874 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.53 -17.02 6.5 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.556 2.171 . . . . 0.0 112.973 -179.522 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.533 ' HD3' HH11 ' B' ' 613' ' ' ARG . 0.2 OUTLIER -128.58 63.87 1.44 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.137 0.494 . . . . 0.0 111.517 -179.904 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.804 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -75.94 -31.9 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.556 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.718 ' HG3' ' HD2' ' A' ' 601' ' ' PRO . 1.5 tp10 -90.35 144.23 30.62 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.978 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.718 ' HD2' ' HG3' ' A' ' 600' ' ' GLU . 67.4 Cg_endo -74.59 161.65 39.36 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.456 2.104 . . . . 0.0 112.39 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -65.76 155.46 36.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.403 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -56.92 -47.62 80.17 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.38 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 12.8 t -70.27 142.65 52.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 609' ' ' VAL . 11.2 m -68.13 -43.99 77.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.849 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -68.8 -38.87 80.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.794 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.437 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 605' ' ' SER . 3.5 t -66.34 -38.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 -179.536 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.5 -48.26 82.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.768 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.416 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 51.4 mt-10 -70.61 -28.31 64.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.455 179.357 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -64.88 -49.89 68.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.793 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.568 ' HE ' HD22 ' C' ' 612' ' ' LEU . 7.7 tpp85 -64.51 -37.87 89.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.528 HG22 ' SD ' ' C' ' 599' ' ' MET . 21.5 p -71.56 -27.6 63.27 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.683 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -48.86 31.9 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 111.138 -179.457 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 612' ' ' LEU . 1.4 t -68.69 -36.7 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.799 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.0 OUTLIER -63.61 -49.55 72.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.29 -179.709 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.586 ' HA ' ' HE3' ' C' ' 596' ' ' LYS . 0.3 OUTLIER -58.37 -43.76 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.968 179.705 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.807 HD21 HD13 ' B' ' 623' ' ' ILE . 19.6 tp -65.88 -36.78 84.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.481 ' HG2' HH22 ' A' ' 617' ' ' ARG . 0.0 OUTLIER -56.47 -42.62 78.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 621' ' ' SER . . . . . 0.534 ' HA ' ' HB2' ' C' ' 594' ' ' GLU . 0.3 OUTLIER -63.21 -38.15 90.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.559 179.526 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 619' ' ' LEU . 24.7 mt -66.25 -36.71 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.591 -179.641 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.807 HD13 HD21 ' C' ' 619' ' ' LEU . 0.9 OUTLIER -62.76 -42.59 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -47.66 73.14 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.387 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.06 -40.29 97.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 5.7 ttm -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 15.0 ttmm -62.16 -49.13 77.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.084 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -29.2 68.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.008 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.4 OUTLIER -64.26 -48.91 73.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 4.8 pt20 -66.56 -31.96 73.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' A' ' 634' ' ' ILE . 24.6 mttm -67.42 -41.39 84.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.48 -42.22 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.936 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' B' ' 634' ' ' ILE . 80.0 mt-10 -60.93 -44.9 96.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.883 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.5 pp -67.95 -33.86 63.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.073 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.75 -43.37 84.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.398 -179.49 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -44.83 76.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.88 -42.15 84.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -42.32 98.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -34.52 76.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' B' ' 641' ' ' LEU . 2.2 mt-10 -72.19 -36.5 69.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.6 OUTLIER -71.2 -38.7 72.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.757 179.579 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HD3' ' A' ' 646' ' ' LYS . 15.6 m-20 -63.57 -47.14 82.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.286 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.401 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -64.46 -36.52 84.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.46 -33.39 62.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 646' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 650' ' ' ARG . 0.3 OUTLIER -63.34 -45.69 90.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -179.664 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 2.0 tt -72.94 -38.52 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 648' ' ' ARG . 1.6 tmm_? -62.59 -42.19 99.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.059 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.789 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 646' ' ' LYS . 1.8 mmp_? -60.45 -37.77 82.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.701 HD22 ' HG2' ' B' ' 652' ' ' GLN . 22.6 tp -66.63 -39.4 88.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.687 ' HG2' HD22 ' C' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.84 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.127 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -44.4 89.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.323 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.95 -44.68 91.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.551 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.626 HG21 HD11 ' C' ' 651' ' ' LEU . 17.8 t -60.93 -40.72 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -34.37 77.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -44.39 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.798 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.512 HG21 HG22 ' B' ' 658' ' ' ILE . 6.6 mt -65.81 -38.06 81.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.742 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.24 83.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -34.55 76.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' B' ' 662' ' ' LEU . . . -70.15 -36.24 74.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' C' ' 661' ' ' ALA . 0.6 OUTLIER -74.0 -31.09 62.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.531 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.65 -37.79 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.0 p -71.84 -43.35 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.73 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -64.97 135.94 56.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.887 0.375 . . . . 0.0 110.646 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.02 174.06 6.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.62 -179.571 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.551 ' HB2' ' HA ' ' C' ' 621' ' ' SER . 4.7 tp10 -81.75 -50.32 9.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.697 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 116.87 -29.96 6.59 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.749 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.592 ' HE3' ' HA ' ' C' ' 618' ' ' GLU . 1.0 OUTLIER 56.67 70.9 1.28 Allowed Pre-proline 0 CA--C 1.532 0.278 0 N-CA-C 110.623 -0.139 . . . . 0.0 110.623 179.835 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.44 -16.99 6.62 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.596 2.197 . . . . 0.0 113.011 -179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.544 ' HD3' HH11 ' C' ' 613' ' ' ARG . 0.2 OUTLIER -128.57 63.78 1.44 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.031 0.443 . . . . 0.0 111.449 -179.81 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.777 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -76.0 -31.79 59.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.54 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.692 ' HG3' ' HD2' ' B' ' 601' ' ' PRO . 1.5 tp10 -90.41 144.28 30.6 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.972 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.692 ' HD2' ' HG3' ' B' ' 600' ' ' GLU . 67.1 Cg_endo -74.6 161.67 39.3 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.474 2.116 . . . . 0.0 112.378 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -65.78 155.54 35.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.358 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.58 80.55 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.328 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 12.8 t -70.3 142.69 52.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 -179.662 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.587 ' O ' HG23 ' B' ' 609' ' ' VAL . 11.5 m -68.14 -43.97 77.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.92 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.87 -38.77 79.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.78 88.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.94 75.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.434 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 605' ' ' SER . 3.5 t -66.42 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.594 -179.553 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.3 -48.44 81.6 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.193 0.52 . . . . 0.0 111.791 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.41 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 51.4 mt-10 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.436 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -64.85 -49.94 68.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.081 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.568 ' HE ' HD22 ' A' ' 612' ' ' LEU . 7.7 tpp85 -64.49 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.072 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.531 HG22 ' SD ' ' A' ' 599' ' ' MET . 21.5 p -71.58 -27.62 63.26 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.642 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -48.83 32.12 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.014 0.435 . . . . 0.0 111.157 -179.4 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 612' ' ' LEU . 1.4 t -68.66 -36.79 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.804 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -63.49 -49.62 72.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.599 ' HA ' ' HE3' ' A' ' 596' ' ' LYS . 0.3 OUTLIER -58.38 -43.76 88.63 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.998 179.657 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.798 HD21 HD13 ' C' ' 623' ' ' ILE . 19.6 tp -65.8 -36.74 84.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.48 ' HG2' HH22 ' B' ' 617' ' ' ARG . 0.0 OUTLIER -56.49 -42.71 78.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.544 ' HA ' ' HB2' ' A' ' 594' ' ' GLU . 0.3 OUTLIER -63.18 -38.16 90.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.652 179.556 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 619' ' ' LEU . 25.2 mt -66.27 -36.65 77.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.807 HD13 HD21 ' A' ' 619' ' ' LEU . 0.9 OUTLIER -62.76 -42.6 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -47.61 73.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.398 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -40.27 97.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.461 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 5.7 ttm -67.91 -40.89 83.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 15.0 ttmm -62.04 -49.27 76.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -29.07 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.4 OUTLIER -64.33 -48.89 73.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.788 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 4.8 pt20 -66.49 -32.0 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' B' ' 634' ' ' ILE . 24.6 mttm -67.48 -41.29 84.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.5 -42.26 65.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.941 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.487 ' HB3' HG21 ' C' ' 634' ' ' ILE . 80.1 mt-10 -60.85 -44.9 96.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 111.882 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.5 pp -68.01 -33.85 63.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.072 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.8 -43.32 84.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.93 76.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.9 -42.17 84.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.736 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -42.3 98.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.991 0.425 . . . . 0.0 111.221 -179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -34.53 76.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' C' ' 641' ' ' LEU . 2.2 mt-10 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.013 0.435 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.6 OUTLIER -71.21 -38.72 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.78 179.554 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 642' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' B' ' 646' ' ' LYS . 15.6 m-20 -63.51 -47.17 82.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.471 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.23 77.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.213 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -36.51 84.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.44 -33.38 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 646' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 650' ' ' ARG . 0.3 OUTLIER -63.39 -45.64 90.1 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 -179.637 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.98 -38.49 56.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 111.174 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.401 HH21 ' HG2' ' A' ' 644' ' ' GLU . 1.6 tmm_? -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.049 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.6 -42.78 99.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.77 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 646' ' ' LYS . 1.8 mmp_? -60.38 -37.92 82.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.696 HD22 ' HG2' ' C' ' 652' ' ' GLN . 22.6 tp -66.51 -39.38 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.701 ' HG2' HD22 ' A' ' 651' ' ' LEU . 3.5 mt-30 -55.88 -41.79 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 -179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.323 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.407 ' OE2' HG12 ' C' ' 655' ' ' VAL . 21.0 tt0 -59.03 -44.65 91.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.634 HG21 HD11 ' A' ' 651' ' ' LEU . 18.0 t -60.93 -40.73 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -34.32 77.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.36 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 179.559 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.517 HG21 HG22 ' C' ' 658' ' ' ILE . 6.6 mt -65.79 -38.07 81.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.65 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -44.16 83.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -34.58 76.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' C' ' 662' ' ' LEU . . . -70.08 -36.21 74.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.355 -179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 661' ' ' ALA . 0.6 OUTLIER -74.03 -31.15 62.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 179.549 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.61 -37.92 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p -71.67 -43.48 65.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 665' ' ' LYS . . . . . 0.727 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.05 -0.976 . . . . 0.0 111.069 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -65.05 136.07 56.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.882 0.372 . . . . 0.0 110.69 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.16 174.13 6.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.539 -179.496 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 621' ' ' SER . 4.8 tp10 -81.79 -50.29 9.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.717 -179.695 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 116.89 -29.96 6.58 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.699 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.586 ' HE3' ' HA ' ' A' ' 618' ' ' GLU . 1.0 OUTLIER 56.65 70.91 1.27 Allowed Pre-proline 0 CA--C 1.533 0.291 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 179.849 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.44 -17.01 6.61 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.578 2.185 . . . . 0.0 113.033 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.543 ' HD3' HH11 ' A' ' 613' ' ' ARG . 0.2 OUTLIER -128.56 63.82 1.44 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.004 0.431 . . . . 0.0 111.454 -179.827 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.799 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -75.92 -31.94 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.533 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.715 ' HG3' ' HD2' ' C' ' 601' ' ' PRO . 1.5 tp10 -90.37 144.26 30.62 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.715 ' HD2' ' HG3' ' C' ' 600' ' ' GLU . 67.1 Cg_endo -74.58 161.65 39.38 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.462 2.108 . . . . 0.0 112.382 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -65.82 155.45 36.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.427 -179.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.57 80.39 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 12.9 t -70.26 142.66 52.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.601 ' O ' HG23 ' C' ' 609' ' ' VAL . 11.2 m -68.12 -43.99 77.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.83 -38.82 80.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.88 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.05 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.601 HG23 ' O ' ' C' ' 605' ' ' SER . 3.5 t -66.41 -38.85 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.635 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.34 -48.45 81.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.166 0.508 . . . . 0.0 111.771 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.412 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 51.4 mt-10 -70.56 -28.21 64.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.524 179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.72 ' O ' HG23 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -65.0 -49.88 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.087 -179.765 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.583 ' HE ' HD22 ' B' ' 612' ' ' LEU . 7.7 tpp85 -64.49 -37.83 88.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.034 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.529 HG22 ' SD ' ' B' ' 599' ' ' MET . 21.4 p -71.69 -27.49 63.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.695 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -48.96 31.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.97 0.414 . . . . 0.0 111.141 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.72 HG23 ' O ' ' C' ' 612' ' ' LEU . 1.4 t -68.6 -36.74 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.777 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -63.59 -49.51 73.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.327 -179.727 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.592 ' HA ' ' HE3' ' B' ' 596' ' ' LYS . 0.3 OUTLIER -58.4 -43.73 88.68 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.002 179.653 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.807 HD21 HD13 ' A' ' 623' ' ' ILE . 19.6 tp -65.88 -36.7 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.474 ' HG2' HH22 ' C' ' 617' ' ' ARG . 0.0 OUTLIER -56.52 -42.67 78.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.893 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 621' ' ' SER . . . . . 0.551 ' HA ' ' HB2' ' B' ' 594' ' ' GLU . 0.3 OUTLIER -63.11 -38.17 90.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.475 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' C' ' 619' ' ' LEU . 25.0 mt -66.28 -36.74 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.581 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.798 HD13 HD21 ' B' ' 619' ' ' LEU . 0.9 OUTLIER -62.68 -42.63 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -47.73 73.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.269 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.03 -40.37 97.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.998 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.462 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 5.6 ttm -67.82 -40.83 83.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 15.1 ttmm -62.09 -49.27 76.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.41 -29.23 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.047 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.4 OUTLIER -64.19 -48.88 74.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 4.8 pt20 -66.54 -31.9 72.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.014 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' C' ' 634' ' ' ILE . 24.5 mttm -67.47 -41.4 84.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.41 -42.18 65.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.02 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.489 ' HB3' HG21 ' A' ' 634' ' ' ILE . 80.1 mt-10 -60.98 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 111.861 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.5 pp -68.05 -33.76 62.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.112 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -66.82 -43.32 84.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -44.82 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.03 -42.08 84.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -42.25 98.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -34.58 76.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.855 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 641' ' ' LEU . 2.2 mt-10 -72.12 -36.57 69.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.993 0.425 . . . . 0.0 110.839 179.879 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.6 OUTLIER -71.18 -38.73 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.599 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 642' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' C' ' 646' ' ' LYS . 15.4 m-20 -63.55 -47.09 82.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.476 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -34.19 77.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.283 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.912 179.799 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.765 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 646' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' C' ' 650' ' ' ARG . 0.3 OUTLIER -63.4 -45.64 90.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.242 -179.599 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.89 -38.47 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.092 0.472 . . . . 0.0 111.233 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.64 -42.21 99.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.59 -42.72 99.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' C' ' 646' ' ' LYS . 1.8 mmp_? -60.46 -37.85 82.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.687 HD22 ' HG2' ' A' ' 652' ' ' GLN . 22.4 tp -66.57 -39.37 88.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.696 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.83 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.121 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -44.36 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.327 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.407 ' OE2' HG12 ' A' ' 655' ' ' VAL . 21.0 tt0 -58.98 -44.69 91.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.499 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.636 HG21 HD11 ' B' ' 651' ' ' LEU . 17.7 t -60.97 -40.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.74 -44.25 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.517 HG22 HG21 ' B' ' 658' ' ' ILE . 6.7 mt -65.94 -38.01 81.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.661 -179.714 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.19 83.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -34.58 76.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 661' ' ' ALA . . . . . 0.497 ' HB1' HD21 ' A' ' 662' ' ' LEU . . . -70.02 -36.23 74.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.503 HD21 ' HB1' ' B' ' 661' ' ' ALA . 0.6 OUTLIER -74.13 -31.08 62.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.617 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.67 -37.82 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p -71.78 -43.46 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 665' ' ' LYS . . . . . 0.711 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.3 -40.77 64.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.954 0.407 . . . . 0.0 110.647 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.552 ' HG2' HG21 ' B' ' 614' ' ' THR . 1.6 mtt -135.03 144.45 47.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.522 -179.477 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.701 ' HB3' ' HG3' ' A' ' 597' ' ' PRO . 15.2 tt0 -99.86 22.82 10.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.767 -179.76 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.32 31.38 34.3 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.764 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER 50.48 57.78 17.41 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 110.607 -0.146 . . . . 0.0 110.607 179.832 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.701 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 92.4 Cg_endo -87.91 8.62 4.09 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.62 2.213 . . . . 0.0 113.081 -179.598 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' B' ' 613' ' ' ARG . 0.1 OUTLIER -130.81 137.26 49.34 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.076 0.465 . . . . 0.0 111.431 -179.808 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.472 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 3.0 tpt -115.36 153.12 31.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.485 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 599' ' ' MET . 0.1 OUTLIER -88.54 104.85 8.06 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.932 179.864 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 599' ' ' MET . 67.6 Cg_endo -73.06 -20.47 21.73 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.476 2.117 . . . . 0.0 112.445 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 602' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 608' ' ' ALA . . . -71.57 124.22 24.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.425 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.75 78.35 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.34 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.0 145.14 25.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 -179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.67 ' O ' HG23 ' A' ' 609' ' ' VAL . 4.7 m -66.54 -37.33 84.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.912 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.57 -37.31 82.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.74 83.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.577 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -61.49 -32.66 72.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.442 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 605' ' ' SER . 82.4 t -60.88 -40.12 84.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.519 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.65 -39.63 74.05 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.186 0.517 . . . . 0.0 111.761 179.645 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.639 ' O ' HG22 ' A' ' 614' ' ' THR . 12.5 mt-10 -63.35 -42.63 98.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.492 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.806 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.1 mm? -65.33 -36.55 84.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.751 0.31 . . . . 0.0 111.056 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.822 ' HG2' HD21 ' C' ' 612' ' ' LEU . 10.4 mtt180 -59.29 -45.35 91.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 -179.801 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 611' ' ' GLU . 1.3 t -67.59 -28.15 67.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.656 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 611' ' ' GLU . 45.2 mm-40 -68.51 -48.15 65.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.155 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.437 HG11 ' HB2' ' C' ' 615' ' ' GLN . 2.5 m -65.34 -41.91 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.465 ' HG2' ' HG2' ' C' ' 597' ' ' PRO . 2.3 tpp180 -61.41 -45.49 94.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.287 -179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 622' ' ' ILE . 6.3 tp10 -66.55 -30.92 71.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 615' ' ' GLN . 28.2 mt -70.1 -39.85 75.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.997 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.657 HH11 ' HB2' ' A' ' 620' ' ' ARG . 0.1 OUTLIER -60.07 -44.99 94.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.822 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 621' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 625' ' ' THR . 2.9 p -67.69 -34.49 77.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.534 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' A' ' 626' ' ' MET . 1.4 mt -62.42 -46.86 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' B' ' 623' ' ' ILE . 3.1 mt -67.17 -41.8 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.296 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.33 -49.33 77.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 621' ' ' SER . 44.9 p -63.8 -49.9 71.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.02 179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 622' ' ' ILE . 3.9 mtt -59.2 -33.13 70.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.523 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 1.5 tmtm? -73.11 -39.21 65.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -47.58 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.67 -47.31 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -39.81 91.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.04 -42.58 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.956 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.712 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.9 mm-40 -61.57 -37.97 85.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 111.904 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.728 ' O ' HD12 ' A' ' 638' ' ' LEU . 2.3 mt -69.85 -41.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.045 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -43.15 97.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -35.01 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.2 OUTLIER -64.42 -46.57 82.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 179.697 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.1 mt -60.22 -41.95 94.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -41.16 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.411 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.2 tt0 -62.76 -41.71 99.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.445 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -62.36 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.768 179.615 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -36.83 75.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.489 -179.345 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -66.87 -46.38 75.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.28 179.248 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.583 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 2.4 tt0 -64.74 -34.69 78.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.814 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.11 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.761 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.43 -49.44 75.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.592 HG22 HE22 ' B' ' 652' ' ' GLN . 2.8 mt -66.25 -38.41 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 120.998 0.428 . . . . 0.0 111.198 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.7 ttp-105 -63.58 -39.95 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.69 -38.53 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.759 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 650' ' ' ARG . 0.0 OUTLIER -66.1 -46.38 77.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.685 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 655' ' ' VAL . 18.0 tp -59.79 -35.68 75.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.724 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.4 OUTLIER -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -46.96 78.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 658' ' ' ILE . 1.0 OUTLIER -62.39 -38.42 89.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.565 179.617 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 651' ' ' LEU . 69.7 t -60.82 -42.87 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -179.566 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.72 -40.16 96.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.35 -36.42 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 654' ' ' GLU . 56.1 mt -68.93 -45.23 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.647 -179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.523 ' HG3' HG12 ' C' ' 658' ' ' ILE . 9.4 tttm -64.97 -41.67 95.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 111.071 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.39 88.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.0 76.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.367 -179.788 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.48 -36.88 76.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 663' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 38.0 mt-30 -74.57 -34.77 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.42 -35.17 58.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.124 -0.941 . . . . 0.0 111.067 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.44 -40.68 64.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 593' ' ' MET . . . . . 0.543 ' HG2' HG21 ' C' ' 614' ' ' THR . 1.5 mtt -134.97 144.45 47.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.553 -179.473 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.698 ' HB3' ' HG3' ' B' ' 597' ' ' PRO . 15.2 tt0 -99.88 22.75 10.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.735 -179.781 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.33 31.43 34.12 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.738 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER 50.44 57.83 17.41 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.591 -0.151 . . . . 0.0 110.591 179.813 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.698 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 94.0 Cg_endo -88.03 8.73 4.02 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.572 2.181 . . . . 0.0 112.973 -179.554 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' C' ' 613' ' ' ARG . 0.1 OUTLIER -130.85 137.21 49.28 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.081 0.467 . . . . 0.0 111.435 -179.888 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.475 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 3.0 tpt -115.26 153.13 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.58 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' B' ' 599' ' ' MET . 0.1 OUTLIER -88.54 104.89 8.12 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' B' ' 599' ' ' MET . 66.8 Cg_endo -73.14 -20.38 21.64 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.455 2.104 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 602' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' B' ' 608' ' ' ALA . . . -71.63 124.21 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.385 -179.783 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.78 78.39 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.334 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.98 145.07 25.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.652 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.687 ' O ' HG23 ' B' ' 609' ' ' VAL . 4.6 m -66.47 -37.43 85.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.47 -37.33 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.25 -42.75 83.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.593 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -61.56 -32.59 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.453 -179.756 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 605' ' ' SER . 81.6 t -60.94 -40.12 84.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.607 -179.598 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.68 -39.65 74.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.708 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.653 ' O ' HG22 ' B' ' 614' ' ' THR . 12.6 mt-10 -63.34 -42.69 98.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.827 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -65.21 -36.57 84.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.806 ' HG2' HD21 ' A' ' 612' ' ' LEU . 10.4 mtt180 -59.37 -45.3 91.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 611' ' ' GLU . 1.3 t -67.65 -28.13 67.46 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.6 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 611' ' ' GLU . 45.2 mm-40 -68.45 -48.24 65.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 111.16 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 615' ' ' GLN . 2.5 m -65.26 -41.94 92.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.458 ' HG2' ' HG2' ' A' ' 597' ' ' PRO . 2.3 tpp180 -61.41 -45.4 94.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.286 -179.728 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.459 ' O ' HD12 ' B' ' 622' ' ' ILE . 6.3 tp10 -66.58 -30.9 71.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.014 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 615' ' ' GLN . 28.3 mt -70.14 -39.84 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.667 HH11 ' HB2' ' B' ' 620' ' ' ARG . 0.1 OUTLIER -60.19 -44.93 94.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 621' ' ' SER . . . . . 0.711 ' O ' HG23 ' B' ' 625' ' ' THR . 2.9 p -67.72 -34.47 76.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 179.526 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.553 HG23 ' SD ' ' B' ' 626' ' ' MET . 1.4 mt -62.46 -46.8 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.989 0.423 . . . . 0.0 111.574 -179.667 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.28 -41.8 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.28 -49.34 77.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.27 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 625' ' ' THR . . . . . 0.711 HG23 ' O ' ' B' ' 621' ' ' SER . 44.9 p -63.78 -50.01 70.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.553 ' SD ' HG23 ' B' ' 622' ' ' ILE . 3.9 mtt -59.08 -33.16 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.5 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 1.5 tmtm? -73.06 -39.25 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.52 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -38.69 92.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.694 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HB3' ' NE2' ' A' ' 630' ' ' GLN . 1.5 tp-100 -65.57 -47.37 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.975 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.7 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.08 -42.54 99.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.948 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.725 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.9 mm-40 -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 111.853 -178.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.726 ' O ' HD12 ' B' ' 638' ' ' LEU . 2.3 mt -69.89 -41.02 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.056 179.267 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -43.06 97.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.518 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -35.04 79.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.985 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.2 OUTLIER -64.35 -46.56 82.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.778 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.726 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.1 mt -60.27 -41.93 94.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.413 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.2 tt0 -62.71 -41.73 99.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.26 -43.55 98.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.732 179.586 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.96 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.507 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.57 ' O ' HD12 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -66.74 -46.49 75.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 179.23 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 2.4 tt0 -64.75 -34.65 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.575 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 10.5 mttm -66.23 -40.12 90.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.48 -49.32 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.679 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.595 HG22 HE22 ' C' ' 652' ' ' GLN . 2.8 mt -66.27 -38.44 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.052 0.453 . . . . 0.0 111.232 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.583 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -63.53 -39.99 95.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.042 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.61 -38.6 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -66.08 -46.36 77.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 179.922 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.74 ' O ' HG23 ' B' ' 655' ' ' VAL . 17.9 tp -59.84 -35.59 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.738 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.702 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.4 OUTLIER -63.33 -39.44 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.165 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -46.97 78.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.627 ' O ' HG13 ' B' ' 658' ' ' ILE . 1.0 OUTLIER -62.37 -38.54 89.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.498 179.638 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 651' ' ' LEU . 70.1 t -60.72 -42.94 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.75 -40.11 95.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.38 -36.39 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.746 179.59 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 654' ' ' GLU . 55.8 mt -68.89 -45.22 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.755 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.535 ' HG3' HG12 ' A' ' 658' ' ' ILE . 9.4 tttm -65.0 -41.7 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.33 89.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.37 -33.99 76.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.42 -36.97 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 663' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' B' ' 659' ' ' LYS . 38.0 mt-30 -74.5 -34.81 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.35 -35.24 58.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.087 -0.958 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.587 -0.205 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.4 -40.72 64.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.657 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 593' ' ' MET . . . . . 0.53 ' HG2' HG21 ' A' ' 614' ' ' THR . 1.5 mtt -134.96 144.45 47.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.539 -179.492 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.691 ' HB3' ' HG3' ' C' ' 597' ' ' PRO . 15.2 tt0 -99.89 22.85 10.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.757 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.28 31.39 34.39 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.809 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER 50.46 57.84 17.39 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 179.838 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.691 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 92.9 Cg_endo -88.03 8.69 4.04 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.567 2.178 . . . . 0.0 112.994 -179.535 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' A' ' 613' ' ' ARG . 0.1 OUTLIER -130.81 137.24 49.33 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.073 0.463 . . . . 0.0 111.468 -179.865 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.472 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 3.0 tpt -115.31 153.14 31.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' C' ' 599' ' ' MET . 0.1 OUTLIER -88.51 104.88 8.08 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.974 179.839 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' C' ' 599' ' ' MET . 66.7 Cg_endo -73.19 -20.34 21.57 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.419 2.079 . . . . 0.0 112.395 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 602' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' C' ' 608' ' ' ALA . . . -71.65 124.3 24.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.315 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.24 -34.78 78.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.385 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.02 145.07 25.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.643 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.686 ' O ' HG23 ' C' ' 609' ' ' VAL . 4.6 m -66.44 -37.36 84.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.946 -179.863 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -67.68 -37.23 82.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.26 -42.81 83.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.597 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -61.46 -32.64 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 605' ' ' SER . 81.7 t -60.97 -39.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.517 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.79 -39.51 74.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.138 0.494 . . . . 0.0 111.819 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.665 ' O ' HG22 ' C' ' 614' ' ' THR . 12.6 mt-10 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.442 179.386 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.822 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -65.23 -36.58 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.752 0.31 . . . . 0.0 111.13 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.827 ' HG2' HD21 ' B' ' 612' ' ' LEU . 10.4 mtt180 -59.38 -45.31 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.021 -179.784 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.665 HG22 ' O ' ' C' ' 611' ' ' GLU . 1.3 t -67.6 -28.14 67.5 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.638 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' C' ' 611' ' ' GLU . 45.2 mm-40 -68.47 -48.17 65.2 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.065 0.459 . . . . 0.0 111.186 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 615' ' ' GLN . 2.5 m -65.36 -41.84 92.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.466 ' HG2' ' HG2' ' B' ' 597' ' ' PRO . 2.3 tpp180 -61.51 -45.41 94.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.746 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.472 ' O ' HD12 ' C' ' 622' ' ' ILE . 6.3 tp10 -66.52 -30.92 71.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.63 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' C' ' 615' ' ' GLN . 28.1 mt -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.78 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.673 HH11 ' HB2' ' C' ' 620' ' ' ARG . 0.1 OUTLIER -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.86 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 621' ' ' SER . . . . . 0.704 ' O ' HG23 ' C' ' 625' ' ' THR . 2.9 p -67.73 -34.42 76.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.646 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.548 HG23 ' SD ' ' C' ' 626' ' ' MET . 1.4 mt -62.56 -46.72 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.539 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.29 -41.74 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.38 -49.29 77.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.434 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 625' ' ' THR . . . . . 0.704 HG23 ' O ' ' C' ' 621' ' ' SER . 45.0 p -63.8 -49.98 70.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.548 ' SD ' HG23 ' C' ' 622' ' ' ILE . 3.9 mtt -59.22 -33.04 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 1.5 tmtm? -73.09 -39.25 65.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.49 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -38.63 91.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.415 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.56 -47.34 76.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.976 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.71 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -61.98 -42.61 99.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.999 179.66 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.711 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.9 mm-40 -61.48 -38.09 86.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 111.878 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.731 ' O ' HD12 ' C' ' 638' ' ' LEU . 2.3 mt -69.83 -40.99 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.156 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.1 97.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.466 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -35.01 79.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.59 HD22 HD22 ' B' ' 637' ' ' LEU . 0.2 OUTLIER -64.36 -46.6 82.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.595 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.731 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.1 mt -60.17 -41.94 93.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.204 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.23 91.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.417 ' HG2' HD22 ' A' ' 641' ' ' LEU . 31.2 tt0 -62.59 -41.75 99.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.029 0.443 . . . . 0.0 110.944 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.435 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.34 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.808 179.582 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -36.84 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.55 -179.399 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.57 ' O ' HD12 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -66.79 -46.45 75.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.21 179.207 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 2.4 tt0 -64.81 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.19 90.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.39 -49.42 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.589 HG22 HE22 ' A' ' 652' ' ' GLN . 2.8 mt -66.28 -38.36 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.998 0.428 . . . . 0.0 111.223 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.559 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.7 ttp-105 -63.61 -39.87 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.76 -38.54 89.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 650' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -66.01 -46.5 77.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.757 ' O ' HG23 ' C' ' 655' ' ' VAL . 17.9 tp -59.78 -35.61 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.708 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.175 -179.795 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -47.06 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.327 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.628 ' O ' HG13 ' C' ' 658' ' ' ILE . 1.0 OUTLIER -62.29 -38.45 89.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.573 179.578 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.757 HG23 ' O ' ' C' ' 651' ' ' LEU . 69.9 t -60.86 -42.84 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.82 -40.03 95.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -36.46 84.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.628 HG13 ' O ' ' C' ' 654' ' ' GLU . 56.3 mt -68.99 -45.15 80.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.668 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.538 ' HG3' HG12 ' B' ' 658' ' ' ILE . 9.4 tttm -65.03 -41.62 95.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -45.34 88.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.34 -34.05 76.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.45 -36.88 77.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.503 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 663' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' C' ' 659' ' ' LYS . 38.0 mt-30 -74.58 -34.74 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -35.24 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.46 -38.23 49.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.663 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 28.2 mtt -147.51 158.99 44.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.586 -179.541 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.7 ' HB3' ' HG3' ' A' ' 597' ' ' PRO . 20.1 tt0 -107.09 10.7 30.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.761 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.26 16.4 50.29 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.739 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.708 ' HA ' ' HB ' ' B' ' 614' ' ' THR . 0.0 OUTLIER 70.11 59.96 0.52 Allowed Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 179.827 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.7 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 92.2 Cg_endo -86.31 -14.51 4.79 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.627 2.218 . . . . 0.0 112.98 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.591 ' HZ2' ' HB2' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -107.87 148.23 29.88 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.016 0.436 . . . . 0.0 111.427 -179.806 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.512 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 4.2 tpt -121.33 150.78 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.634 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.591 ' HB3' ' HE ' ' B' ' 613' ' ' ARG . 1.3 pt-20 -85.04 105.31 6.22 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 599' ' ' MET . 67.8 Cg_endo -73.28 -16.32 24.94 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.453 2.102 . . . . 0.0 112.436 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.84 118.73 21.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.386 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.88 -35.74 81.63 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.043 0.449 . . . . 0.0 111.386 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 14.6 m -85.74 145.56 27.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.617 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 609' ' ' VAL . 4.0 m -63.58 -44.36 94.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.865 -179.811 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.38 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.32 85.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.743 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -69.17 -36.78 77.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.43 -179.701 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.762 HG11 ' HB1' ' C' ' 608' ' ' ALA . 74.6 t -66.49 -36.84 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.608 -179.561 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.63 84.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.15 0.5 . . . . 0.0 111.772 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 615' ' ' GLN . 3.5 mt-10 -60.17 -37.83 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.468 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.559 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.2 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.587 ' HE ' ' HB3' ' C' ' 600' ' ' GLU . 4.1 mmt180 -55.05 -46.44 75.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.7 ' HB ' ' HA ' ' C' ' 596' ' ' LYS . 5.2 t -69.34 -29.44 67.25 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.63 179.779 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 611' ' ' GLU . 2.0 mt-30 -68.83 -43.52 75.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.405 HG21 ' OE1' ' C' ' 615' ' ' GLN . 4.0 m -68.75 -37.28 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.598 ' HB2' ' HZ2' ' C' ' 598' ' ' LYS . 1.9 tpp180 -62.76 -49.74 73.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.342 -179.729 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 8.0 tp10 -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.676 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.681 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -61.12 -46.94 88.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 -179.776 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.44 ' HA ' HD12 ' A' ' 623' ' ' ILE . 1.0 OUTLIER -62.26 -34.31 76.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.856 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 5.9 m -67.4 -34.67 77.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 619' ' ' LEU . 9.1 mt -63.93 -44.78 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.619 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.485 ' H ' HG13 ' A' ' 623' ' ' ILE . 1.5 mt -66.17 -34.96 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.52 -50.79 62.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -45.81 91.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.977 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.589 ' SD ' HG22 ' A' ' 622' ' ' ILE . 3.9 mtt -61.2 -37.5 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.502 ' NZ ' ' HB3' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -65.24 -41.72 94.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.085 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 628' ' ' ASP . . . . . 0.488 ' HB3' HH12 ' A' ' 632' ' ' ARG . 0.7 OUTLIER -63.86 -39.16 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.815 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.505 ' HB3' ' NZ ' ' B' ' 627' ' ' LYS . 7.2 tp-100 -60.92 -49.51 77.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -61.56 -34.55 75.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.88 -32.05 68.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 632' ' ' ARG . . . . . 0.488 HH12 ' HB3' ' A' ' 628' ' ' ASP . 0.1 OUTLIER -65.51 -44.48 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.016 179.643 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.53 -39.3 88.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.048 0.451 . . . . 0.0 111.951 -179.054 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 638' ' ' LEU . 6.8 mt -63.59 -38.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.12 179.215 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -44.71 87.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.496 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -32.96 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.2 mt -66.05 -40.36 90.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.5 mt -64.89 -38.16 90.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.113 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -38.51 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.727 ' HG2' HD22 ' B' ' 641' ' ' LEU . 65.9 tt0 -65.61 -42.87 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.833 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.85 -43.42 96.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.795 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -34.17 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.519 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -66.38 -42.53 87.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.223 179.288 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.592 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 11.0 tt0 -72.18 -33.85 67.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.52 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -41.29 97.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.7 mt -70.97 -44.0 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 111.194 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.595 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.6 ttp-105 -58.75 -37.63 76.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.065 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.49 -44.78 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 650' ' ' ARG . 5.3 tmm_? -61.47 -34.68 75.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.918 ' O ' HG23 ' A' ' 655' ' ' VAL . 19.9 tp -66.07 -36.81 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.437 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.81 79.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.127 -179.791 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.278 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.82 87.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.495 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 651' ' ' LEU . 13.9 t -66.22 -47.96 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.175 -179.42 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.86 -46.82 83.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.5 mt -71.28 -35.93 59.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.658 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.74 -44.05 74.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.31 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.53 91.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.77 72.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' C' ' 662' ' ' LEU . 0.9 OUTLIER -63.67 -27.68 69.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 179.628 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -39.32 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -17.39 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 -38.31 50.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 28.3 mtt -147.45 158.98 44.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.591 -179.504 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.705 ' HB3' ' HG3' ' B' ' 597' ' ' PRO . 20.2 tt0 -107.1 10.72 30.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.734 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.23 50.72 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.775 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.684 ' HA ' ' HB ' ' C' ' 614' ' ' THR . 0.0 OUTLIER 70.17 60.02 0.51 Allowed Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 110.637 -0.135 . . . . 0.0 110.637 179.858 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.705 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.5 Cg_endo -86.4 -14.49 4.71 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.578 2.186 . . . . 0.0 112.958 -179.532 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.594 ' HZ2' ' HB2' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -107.84 148.3 29.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.968 0.413 . . . . 0.0 111.514 -179.865 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.518 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 4.3 tpt -121.43 150.75 41.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.599 ' HB3' ' HE ' ' C' ' 613' ' ' ARG . 1.3 pt-20 -85.03 105.29 6.18 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.965 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.518 ' HD3' ' O ' ' B' ' 599' ' ' MET . 68.2 Cg_endo -73.27 -16.38 24.93 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.44 2.094 . . . . 0.0 112.426 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.85 118.75 21.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.43 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.67 81.46 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 14.6 m -85.76 145.6 27.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.232 -179.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.9 m -63.51 -44.43 94.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.907 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -42.33 96.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.3 85.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.742 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -69.05 -36.83 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.743 HG11 ' HB1' ' A' ' 608' ' ' ALA . 74.4 t -66.49 -36.85 78.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.62 84.66 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 111.769 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' B' ' 615' ' ' GLN . 3.5 mt-10 -60.25 -37.73 81.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 179.421 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.543 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.19 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.591 ' HE ' ' HB3' ' A' ' 600' ' ' GLU . 4.1 mmt180 -55.09 -46.5 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.708 ' HB ' ' HA ' ' A' ' 596' ' ' LYS . 5.2 t -69.33 -29.37 67.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.638 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 611' ' ' GLU . 2.0 mt-30 -68.85 -43.49 75.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.987 0.422 . . . . 0.0 111.087 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.403 HG21 ' OE1' ' A' ' 615' ' ' GLN . 4.0 m -68.79 -37.24 77.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.591 ' HB2' ' HZ2' ' A' ' 598' ' ' LYS . 2.0 tpp180 -62.83 -49.69 73.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.384 -179.737 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 8.1 tp10 -69.35 -29.62 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 179.646 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.703 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.2 OUTLIER -61.12 -46.99 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.985 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' B' ' 623' ' ' ILE . 1.0 OUTLIER -62.14 -34.42 76.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.38 -34.59 77.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 179.498 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' B' ' 619' ' ' LEU . 9.2 mt -63.95 -44.87 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.557 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.492 ' H ' HG13 ' B' ' 623' ' ' ILE . 1.5 mt -66.11 -35.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.17 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.4 -50.92 61.83 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.56 -45.87 90.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.597 ' SD ' HG22 ' B' ' 622' ' ' ILE . 3.9 mtt -61.22 -37.4 82.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.864 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -65.35 -41.66 93.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.847 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 628' ' ' ASP . . . . . 0.484 ' HB3' HH12 ' B' ' 632' ' ' ARG . 0.7 OUTLIER -63.81 -39.29 93.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.046 -179.868 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.499 ' HB3' ' NZ ' ' C' ' 627' ' ' LYS . 7.2 tp-100 -60.86 -49.46 77.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.741 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -61.67 -34.56 75.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 -179.734 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.402 ' HG3' ' OE1' ' A' ' 630' ' ' GLN . 6.2 mttp -70.8 -32.07 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.484 HH12 ' HB3' ' B' ' 628' ' ' ASP . 0.1 OUTLIER -65.54 -44.37 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.022 179.642 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.65 -39.24 88.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 111.93 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.651 ' O ' HD12 ' B' ' 638' ' ' LEU . 6.9 mt -63.62 -38.45 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.14 179.204 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -44.82 87.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.44 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.527 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.2 mt -66.0 -40.41 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.651 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.6 mt -64.85 -38.14 89.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.5 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.712 ' HG2' HD22 ' C' ' 641' ' ' LEU . 65.8 tt0 -65.62 -42.83 91.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.5 OUTLIER -63.89 -43.44 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.724 179.586 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.488 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.425 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -66.32 -42.52 88.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.298 179.237 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.592 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 11.0 tt0 -72.22 -33.89 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.46 -43.13 99.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.754 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.8 mt -71.01 -43.97 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 111.164 -179.637 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.592 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -58.72 -37.69 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.063 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.44 -44.9 85.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.64 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 650' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 650' ' ' ARG . 5.3 tmm_? -61.42 -34.7 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.691 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.925 ' O ' HG23 ' B' ' 655' ' ' VAL . 19.9 tp -66.06 -36.79 84.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.741 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.447 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.1 OUTLIER -56.32 -43.82 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.108 -179.768 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -40.71 96.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.881 0.372 . . . . 0.0 111.367 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.83 87.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 179.569 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 651' ' ' LEU . 13.8 t -66.15 -48.0 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 -179.484 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.46 -28.7 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.91 -46.83 83.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.5 mt -71.28 -35.91 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.66 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.77 -44.05 74.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.43 90.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.66 72.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.301 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.598 ' HG ' HD11 ' C' ' 662' ' ' LEU . 0.9 OUTLIER -63.61 -27.71 69.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -39.32 62.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.67 -17.26 54.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.096 -0.954 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 -38.37 50.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.956 0.408 . . . . 0.0 110.668 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 28.2 mtt -147.5 159.05 44.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.548 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.681 ' HB3' ' HG3' ' C' ' 597' ' ' PRO . 20.1 tt0 -107.07 10.63 30.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.719 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.33 16.27 50.54 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.803 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.7 ' HA ' ' HB ' ' A' ' 614' ' ' THR . 0.0 OUTLIER 70.08 60.1 0.52 Allowed Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.634 -0.136 . . . . 0.0 110.634 179.903 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.681 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 93.5 Cg_endo -86.42 -14.5 4.68 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.569 2.179 . . . . 0.0 112.953 -179.52 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.598 ' HZ2' ' HB2' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -107.86 148.33 29.72 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.006 0.431 . . . . 0.0 111.488 -179.859 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.513 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 4.3 tpt -121.37 150.74 41.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.599 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.587 ' HB3' ' HE ' ' A' ' 613' ' ' ARG . 1.3 pt-20 -85.04 105.36 6.34 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.958 179.87 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.513 ' HD3' ' O ' ' C' ' 599' ' ' MET . 66.5 Cg_endo -73.38 -16.34 24.68 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.421 2.081 . . . . 0.0 112.33 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 602' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' C' ' 607' ' ' ALA . . . -79.94 118.75 21.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.375 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.88 -35.74 81.65 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.385 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 14.6 m -85.67 145.61 27.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.178 -179.65 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.422 ' O ' HG23 ' C' ' 609' ' ' VAL . 4.0 m -63.52 -44.46 94.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.37 -42.32 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.405 ' HB3' ' HB1' ' C' ' 602' ' ' ALA . . . -62.28 -37.29 84.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -69.15 -36.74 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.742 HG11 ' HB1' ' B' ' 608' ' ' ALA . 74.2 t -66.54 -36.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.39 -38.6 84.46 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.131 0.491 . . . . 0.0 111.784 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' C' ' 615' ' ' GLN . 3.5 mt-10 -60.28 -37.76 81.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.41 179.446 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -70.86 -38.16 73.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 111.092 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.599 ' HE ' ' HB3' ' B' ' 600' ' ' GLU . 4.1 mmt180 -55.05 -46.51 75.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.684 ' HB ' ' HA ' ' B' ' 596' ' ' LYS . 5.2 t -69.37 -29.42 67.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.631 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' C' ' 611' ' ' GLU . 2.0 mt-30 -68.81 -43.45 75.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 111.163 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.405 HG21 ' OE1' ' B' ' 615' ' ' GLN . 4.0 m -68.87 -37.17 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.594 ' HB2' ' HZ2' ' B' ' 598' ' ' LYS . 2.0 tpp180 -62.9 -49.67 73.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.304 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.6 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 8.1 tp10 -69.38 -29.52 67.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.2 OUTLIER -61.22 -46.98 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.83 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.451 ' HA ' HD12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -62.12 -34.38 76.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.981 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.51 -34.54 77.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' C' ' 619' ' ' LEU . 9.2 mt -63.9 -44.85 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.652 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.5 mt -66.17 -34.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.219 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.53 -50.87 61.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -45.88 90.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.587 ' SD ' HG22 ' C' ' 622' ' ' ILE . 3.8 mtt -61.23 -37.43 83.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.499 ' NZ ' ' HB3' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.858 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 628' ' ' ASP . . . . . 0.494 ' HB3' HH12 ' C' ' 632' ' ' ARG . 0.7 OUTLIER -63.89 -39.22 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.899 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.502 ' HB3' ' NZ ' ' A' ' 627' ' ' LYS . 7.2 tp-100 -60.85 -49.51 77.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.811 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -34.58 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.401 ' HG3' ' OE1' ' B' ' 630' ' ' GLN . 6.2 mttp -70.77 -32.11 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 632' ' ' ARG . . . . . 0.494 HH12 ' HB3' ' C' ' 628' ' ' ASP . 0.1 OUTLIER -65.53 -44.47 86.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.953 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.52 -39.36 88.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 111.935 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.642 ' O ' HD12 ' C' ' 638' ' ' LEU . 6.9 mt -63.57 -38.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.098 179.238 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -44.73 87.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -33.05 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.2 mt -65.99 -40.44 91.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.781 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.642 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.5 mt -64.8 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.749 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -38.51 89.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.721 ' HG2' HD22 ' A' ' 641' ' ' LEU . 65.8 tt0 -65.58 -42.91 91.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.82 -43.52 96.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.745 179.574 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -34.27 76.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.522 -179.382 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.417 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -66.25 -42.68 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.224 179.282 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.595 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 11.0 tt0 -72.16 -33.86 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.55 -43.16 99.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.663 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.28 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.231 -179.618 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.7 mt -70.94 -43.95 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.114 0.483 . . . . 0.0 111.253 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.592 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.6 ttp-105 -58.8 -37.65 76.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.022 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.4 -44.89 86.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -61.41 -34.7 75.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.921 ' O ' HG23 ' C' ' 655' ' ' VAL . 19.9 tp -66.0 -36.82 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.446 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.85 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.191 -179.838 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -40.74 96.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.58 -37.79 87.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.524 179.59 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.921 HG23 ' O ' ' C' ' 651' ' ' LEU . 13.7 t -66.14 -48.03 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.43 -28.68 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.94 -46.86 82.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.716 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.5 mt -71.31 -35.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.662 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.76 -44.09 74.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -38.55 91.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 662' ' ' LEU . . . . . 0.598 HD11 ' HG ' ' B' ' 662' ' ' LEU . 0.9 OUTLIER -63.65 -27.7 69.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.53 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -39.36 62.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -17.35 54.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' B' ' 615' ' ' GLN . 1.2 t60 -73.08 -44.69 60.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.003 0.43 . . . . 0.0 110.686 179.857 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 26.5 mtt -134.86 135.51 41.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.63 -179.532 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' B' ' 618' ' ' GLU . 14.6 tt0 -78.54 -8.6 58.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.696 -179.716 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.99 22.71 6.77 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.742 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.574 ' HA ' ' HB ' ' B' ' 614' ' ' THR . 0.0 OUTLIER 61.12 55.93 3.34 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 110.591 -0.152 . . . . 0.0 110.591 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.461 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 93.4 Cg_endo -86.83 -5.38 7.93 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.623 2.215 . . . . 0.0 112.984 -179.529 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.72 ' HD2' ' HB3' ' B' ' 613' ' ' ARG . 0.1 OUTLIER -122.8 135.62 54.6 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.044 0.449 . . . . 0.0 111.441 -179.798 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.432 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 24.1 ttt -105.62 156.12 18.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.626 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.407 ' HB3' ' HE ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -88.62 106.16 11.94 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.944 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 599' ' ' MET . 67.4 Cg_endo -72.17 -21.65 23.37 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.474 2.116 . . . . 0.0 112.37 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 602' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 608' ' ' ALA . . . -69.81 124.17 23.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.395 -179.757 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.88 86.49 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.4 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.46 148.61 24.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.215 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.615 ' O ' HG23 ' A' ' 609' ' ' VAL . 58.2 m -68.68 -41.04 79.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -65.61 -44.07 87.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.85 -43.7 90.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.644 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -63.36 -32.04 73.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.416 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.65 HG11 ' HB1' ' C' ' 608' ' ' ALA . 83.1 t -65.75 -35.47 75.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.563 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.3 OUTLIER -61.1 -32.49 72.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 111.838 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.73 -39.82 91.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.442 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.524 ' HB3' ' HG ' ' C' ' 612' ' ' LEU . 2.2 mm? -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.706 ' HB3' ' HD2' ' C' ' 598' ' ' LYS . 5.1 mtt180 -59.25 -45.46 91.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.586 ' HB ' ' HA ' ' C' ' 596' ' ' LYS . 3.4 t -71.05 -37.4 72.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.608 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' C' ' 592' ' ' HIS . 32.9 mt-30 -62.41 -50.65 70.66 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 111.123 -179.409 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 612' ' ' LEU . 30.3 m -63.39 -43.59 98.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.415 ' N ' HG23 ' A' ' 616' ' ' VAL . 1.5 tpp180 -56.42 -52.12 65.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.389 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 10.4 tp10 -64.58 -33.65 76.42 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 179.641 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.83 -48.31 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -62.02 -41.02 97.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.907 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -62.0 -34.47 76.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.98 -45.75 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.603 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 620' ' ' ARG . 2.0 mt -67.51 -34.19 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.98 -52.77 54.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -179.38 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.25 -38.44 90.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.013 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.56 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 4.1 mtt -60.6 -44.15 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.57 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.1 OUTLIER -67.72 -35.93 79.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 628' ' ' ASP . . . . . 0.544 ' HB3' ' NH2' ' A' ' 632' ' ' ARG . 0.7 OUTLIER -67.24 -40.48 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.004 -179.814 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.447 ' HB3' ' HZ1' ' B' ' 627' ' ' LYS . 0.5 OUTLIER -66.48 -46.13 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.538 ' OE1' ' HA ' ' A' ' 630' ' ' GLN . 0.4 OUTLIER -64.89 -37.99 89.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.804 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 1.8 tttp -61.02 -41.3 96.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 632' ' ' ARG . . . . . 0.544 ' NH2' ' HB3' ' A' ' 628' ' ' ASP . 6.3 mtm180 -64.18 -37.61 88.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.98 179.669 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' B' ' 634' ' ' ILE . 3.6 mt-10 -63.27 -41.66 99.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.065 0.46 . . . . 0.0 111.891 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.632 HG23 HD12 ' C' ' 637' ' ' LEU . 61.6 mt -67.79 -47.64 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.101 179.242 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -52.8 -49.04 66.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.444 -179.541 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -39.94 78.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.921 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.624 HD12 HG23 ' B' ' 634' ' ' ILE . 1.0 OUTLIER -62.93 -35.39 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.688 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -40.87 96.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.31 -36.11 78.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.39 -40.17 89.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.011 0.434 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -43.74 86.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.746 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.02 -39.8 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.484 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 643' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 tp10 -60.69 -41.58 95.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.203 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.486 ' HG3' ' HE2' ' B' ' 645' ' ' LYS . 0.3 OUTLIER -65.35 -32.92 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.856 179.88 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.482 ' HE2' ' HG3' ' C' ' 644' ' ' GLU . 18.1 mmtt -65.73 -36.77 84.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.27 -48.41 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -64.96 -40.2 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.065 0.46 . . . . 0.0 111.211 -179.656 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.47 HH21 HE22 ' A' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.09 90.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -43.58 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -63.32 -34.81 78.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.687 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' B' ' 652' ' ' GLN . 13.7 tp -64.05 -44.87 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.799 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.0 OUTLIER -53.58 -41.83 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 -179.764 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.76 -40.64 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.302 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.96 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.59 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 651' ' ' LEU . 60.1 t -60.07 -46.96 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.14 -179.548 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -61.71 -29.08 69.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.32 -46.5 76.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.4 mt -67.09 -38.59 81.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.726 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.06 -41.82 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.83 76.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.328 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -27.88 68.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.54 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.84 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.3 m -74.47 -63.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.076 -179.975 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 592' ' ' HIS . . . . . 0.495 ' O ' ' HG2' ' C' ' 615' ' ' GLN . 1.2 t60 -73.16 -44.6 59.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.98 0.419 . . . . 0.0 110.689 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 26.5 mtt -134.86 135.49 41.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.658 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' C' ' 618' ' ' GLU . 14.6 tt0 -78.57 -8.54 58.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.711 -179.772 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.94 22.83 6.72 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.764 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.592 ' HA ' ' HB ' ' C' ' 614' ' ' THR . 0.0 OUTLIER 61.1 55.87 3.35 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 179.833 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' B' ' 596' ' ' LYS . 93.8 Cg_endo -86.83 -5.35 7.93 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.647 2.231 . . . . 0.0 112.95 -179.469 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.709 ' HD2' ' HB3' ' C' ' 613' ' ' ARG . 0.1 OUTLIER -122.87 135.75 54.62 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.078 0.466 . . . . 0.0 111.394 -179.839 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.435 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 24.0 ttt -105.67 156.02 18.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.57 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.408 ' HB3' ' HE ' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -88.62 106.12 11.84 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.984 179.885 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' B' ' 599' ' ' MET . 67.8 Cg_endo -72.11 -21.65 23.59 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.492 2.128 . . . . 0.0 112.45 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 602' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' B' ' 608' ' ' ALA . . . -69.75 124.22 23.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.447 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.75 85.86 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.352 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.54 148.51 24.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.226 -179.7 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.627 ' O ' HG23 ' B' ' 609' ' ' VAL . 58.3 m -68.61 -41.09 80.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.858 -179.767 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -65.65 -44.01 87.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.79 90.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -63.32 -31.98 73.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.644 HG11 ' HB1' ' A' ' 608' ' ' ALA . 83.0 t -65.82 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 -179.479 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.565 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.3 OUTLIER -61.2 -32.62 72.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.167 0.508 . . . . 0.0 111.764 179.651 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.51 -39.92 92.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 2.2 mm? -71.03 -33.79 70.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.72 ' HB3' ' HD2' ' A' ' 598' ' ' LYS . 5.1 mtt180 -59.3 -45.48 91.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.013 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.574 ' HB ' ' HA ' ' A' ' 596' ' ' LYS . 3.4 t -71.11 -37.25 72.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.664 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 592' ' ' HIS . 33.0 mt-30 -62.46 -50.71 70.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.997 0.427 . . . . 0.0 111.171 -179.531 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.448 HG22 ' O ' ' B' ' 612' ' ' LEU . 30.2 m -63.3 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.416 ' N ' HG23 ' B' ' 616' ' ' VAL . 1.5 tpp180 -56.41 -52.19 65.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.277 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 10.4 tp10 -64.55 -33.6 76.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 179.693 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -55.84 -48.33 75.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -62.08 -40.97 97.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.99 -34.44 76.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.02 -45.7 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.636 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' B' ' 620' ' ' ARG . 2.0 mt -67.6 -34.09 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.09 -52.7 54.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.35 -38.39 89.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.957 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.562 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 4.2 mtt -60.58 -44.14 96.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.56 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.1 OUTLIER -67.79 -35.89 79.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.839 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 628' ' ' ASP . . . . . 0.546 ' HB3' ' NH2' ' B' ' 632' ' ' ARG . 0.7 OUTLIER -67.34 -40.36 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 -179.781 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.482 ' HB3' ' HZ1' ' C' ' 627' ' ' LYS . 0.4 OUTLIER -66.5 -46.09 77.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.669 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.548 ' HA ' ' OE1' ' B' ' 630' ' ' GLN . 0.4 OUTLIER -65.01 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.729 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.402 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 1.8 tttp -61.07 -41.25 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.546 ' NH2' ' HB3' ' B' ' 628' ' ' ASP . 6.3 mtm180 -64.12 -37.68 88.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.983 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.5 ' HB2' HD13 ' C' ' 634' ' ' ILE . 3.6 mt-10 -63.26 -41.64 99.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.025 0.44 . . . . 0.0 111.882 -179.012 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.624 HG23 HD12 ' A' ' 637' ' ' LEU . 61.5 mt -67.76 -47.61 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.083 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -52.95 -49.01 66.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.405 -179.434 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -39.96 78.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.648 HD12 HG23 ' C' ' 634' ' ' ILE . 1.0 OUTLIER -62.91 -35.33 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.598 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -40.86 95.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 2.5 t -68.34 -35.97 78.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.79 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.5 -40.23 89.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.735 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.93 -39.82 86.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.528 -179.363 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 643' ' ' GLU . . . . . 0.544 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 tp10 -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.233 179.256 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.493 ' HG3' ' HE2' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -65.33 -32.92 74.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.486 ' HE2' ' HG3' ' A' ' 644' ' ' GLU . 18.2 mmtt -65.72 -36.71 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.35 -48.37 73.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -64.95 -40.27 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.16 -179.651 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.467 HH21 HE22 ' B' ' 652' ' ' GLN . 9.6 ttp-105 -63.79 -45.26 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -43.57 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.83 78.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.802 HD13 ' HG3' ' C' ' 652' ' ' GLN . 13.7 tp -64.09 -44.84 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.76 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.0 OUTLIER -53.56 -41.84 66.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.184 -179.824 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -40.7 93.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.337 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 654' ' ' GLU . . . . . 0.481 ' O ' HG13 ' B' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.99 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.551 179.617 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 651' ' ' LEU . 60.2 t -60.02 -46.9 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 111.21 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -61.72 -29.11 69.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.28 -46.51 76.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.4 mt -67.19 -38.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.633 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.09 -41.76 90.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.79 -35.83 80.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.87 76.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.363 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.93 68.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.88 31.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 15.4 m -74.39 -63.66 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 592' ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' A' ' 615' ' ' GLN . 1.2 t60 -73.3 -44.58 58.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.36 . . . . 0.0 110.573 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 26.6 mtt -134.85 135.44 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.636 -179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 618' ' ' GLU . 14.6 tt0 -78.49 -8.63 58.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.705 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.93 22.78 6.75 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.832 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.586 ' HA ' ' HB ' ' A' ' 614' ' ' THR . 0.0 OUTLIER 61.1 55.95 3.36 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 179.84 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.462 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 92.4 Cg_endo -86.85 -5.4 7.91 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.589 2.193 . . . . 0.0 112.971 -179.538 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.706 ' HD2' ' HB3' ' A' ' 613' ' ' ARG . 0.1 OUTLIER -122.83 135.65 54.6 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.087 0.47 . . . . 0.0 111.431 -179.807 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.424 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 24.0 ttt -105.65 156.11 18.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.571 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.41 ' HB3' ' HE ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -88.62 106.21 12.09 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.965 179.904 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' C' ' 599' ' ' MET . 67.7 Cg_endo -72.19 -21.69 23.25 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.462 2.108 . . . . 0.0 112.353 -179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 602' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' C' ' 608' ' ' ALA . . . -69.79 124.15 23.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.435 -179.762 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.79 86.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.47 148.58 24.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.624 ' O ' HG23 ' C' ' 609' ' ' VAL . 58.3 m -68.65 -41.05 79.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -65.78 -43.92 87.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.7 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.65 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -63.32 -32.01 73.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.405 -179.78 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.651 HG11 ' HB1' ' B' ' 608' ' ' ALA . 82.9 t -65.73 -35.5 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.554 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.548 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.3 OUTLIER -61.13 -32.56 72.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.073 0.463 . . . . 0.0 111.79 179.605 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.64 -39.87 91.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.527 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 2.2 mm? -70.99 -33.91 70.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.709 ' HB3' ' HD2' ' B' ' 598' ' ' LYS . 5.2 mtt180 -59.26 -45.45 91.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.027 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.592 ' HB ' ' HA ' ' B' ' 596' ' ' LYS . 3.4 t -71.06 -37.36 72.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.652 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 592' ' ' HIS . 33.0 mt-30 -62.43 -50.73 70.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.44 HG22 ' O ' ' C' ' 612' ' ' LEU . 30.1 m -63.21 -43.7 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.409 ' N ' HG23 ' C' ' 616' ' ' VAL . 1.5 tpp180 -56.39 -52.16 65.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 10.4 tp10 -64.57 -33.62 76.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.439 ' HB3' HD22 ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.89 -48.28 75.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.986 -179.837 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -61.97 -41.03 97.56 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.862 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.97 -34.52 76.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 50.3 mt -69.0 -45.73 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' C' ' 620' ' ' ARG . 2.0 mt -67.54 -34.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.02 -52.74 54.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.253 -179.358 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.29 -38.36 90.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.02 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.57 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 4.2 mtt -60.6 -44.14 96.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.1 OUTLIER -67.72 -35.98 79.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 -179.87 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 628' ' ' ASP . . . . . 0.549 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.7 OUTLIER -67.26 -40.36 86.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -179.803 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.4 ' HB3' ' HZ1' ' A' ' 627' ' ' LYS . 0.4 OUTLIER -66.52 -46.14 77.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.774 179.694 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.4 OUTLIER -64.96 -37.93 89.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.001 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 1.8 tttp -61.08 -41.28 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 632' ' ' ARG . . . . . 0.549 ' NH2' ' HB3' ' C' ' 628' ' ' ASP . 6.3 mtm180 -64.15 -37.66 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' A' ' 634' ' ' ILE . 3.6 mt-10 -63.24 -41.67 99.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 0.0 111.909 -179.027 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.648 HG23 HD12 ' B' ' 637' ' ' LEU . 61.5 mt -67.76 -47.6 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.129 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -52.89 -48.99 66.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.442 -179.535 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -39.82 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.995 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 634' ' ' ILE . 1.0 OUTLIER -63.04 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.755 179.584 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -40.82 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.115 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.29 -36.07 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.45 -40.1 89.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -43.65 86.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.789 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.13 -39.71 87.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.473 -179.323 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 643' ' ' GLU . . . . . 0.541 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 tp10 -60.71 -41.61 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.173 179.266 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.482 ' HG3' ' HE2' ' A' ' 645' ' ' LYS . 0.3 OUTLIER -65.25 -32.95 74.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.903 179.859 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.493 ' HE2' ' HG3' ' B' ' 644' ' ' GLU . 18.1 mmtt -65.74 -36.71 84.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.3 -48.34 73.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.289 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.541 HG13 ' O ' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -64.94 -40.22 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 121.119 0.485 . . . . 0.0 111.215 -179.674 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.462 HH21 HE22 ' C' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.2 90.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.048 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -43.57 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.82 78.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.713 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.799 HD13 ' HG3' ' A' ' 652' ' ' GLN . 13.8 tp -64.07 -44.92 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.74 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.802 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.0 OUTLIER -53.51 -41.8 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 -179.796 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -40.64 93.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 654' ' ' GLU . . . . . 0.481 ' O ' HG13 ' C' ' 658' ' ' ILE . 32.3 tt0 -67.55 -42.03 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.454 HG23 ' O ' ' C' ' 651' ' ' LEU . 60.2 t -59.95 -46.9 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.999 0.428 . . . . 0.0 111.24 -179.578 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -61.81 -29.09 69.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.23 -46.54 76.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 179.595 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.481 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.4 mt -67.18 -38.56 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.681 -179.657 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.14 -41.71 90.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.323 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.85 -35.81 80.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.86 76.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.89 68.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.67 -27.82 31.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 15.5 m -74.4 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -48.94 45.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 593' ' ' MET . . . . . 0.498 ' HG3' HE21 ' B' ' 615' ' ' GLN . 24.2 mtt -124.3 118.32 26.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.553 -179.498 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' B' ' 618' ' ' GLU . 34.4 tt0 -67.73 -43.73 79.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.682 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 149.23 35.79 0.04 OUTLIER Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.769 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER 47.23 53.03 13.23 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 179.859 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 596' ' ' LYS . 91.8 Cg_endo -87.08 -31.42 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.596 2.197 . . . . 0.0 113.069 -179.649 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.563 ' NZ ' ' HD3' ' B' ' 617' ' ' ARG . 1.7 ttmp? -93.0 113.62 25.95 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.035 0.445 . . . . 0.0 111.423 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 1.1 ttt -90.24 158.44 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.464 ' HA ' ' CZ ' ' B' ' 613' ' ' ARG . 3.7 pt-20 -91.41 110.51 43.36 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.968 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.77 -20.6 17.29 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.484 2.123 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 602' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 607' ' ' ALA . . . -73.22 130.08 39.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.425 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.22 87.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.04 0.448 . . . . 0.0 111.323 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.72 144.49 27.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.6 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m -63.87 -34.55 78.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.924 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -63.62 -46.83 83.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.554 ' HB3' ' HB1' ' A' ' 602' ' ' ALA . . . -61.45 -35.13 76.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -64.87 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.445 -179.716 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 1.038 HG11 ' HB1' ' C' ' 608' ' ' ALA . 85.0 t -68.8 -38.36 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.553 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.503 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.9 OUTLIER -55.26 -48.84 73.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 179.706 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 611' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 614' ' ' THR . 4.0 mt-10 -59.71 -34.03 72.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.668 HD21 ' HG2' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -70.26 -32.43 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.129 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.653 ' HG2' HD21 ' C' ' 612' ' ' LEU . 4.4 mtt180 -61.85 -46.24 90.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.454 ' HB ' ' HA ' ' C' ' 596' ' ' LYS . 1.5 t -64.6 -32.08 73.58 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.652 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 615' ' ' GLN . . . . . 0.495 HE21 ' HG3' ' C' ' 593' ' ' MET . 2.0 mm-40 -68.02 -46.43 71.22 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.05 0.453 . . . . 0.0 111.157 -179.438 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.562 ' HB ' HH22 ' A' ' 620' ' ' ARG . 5.9 m -64.96 -39.98 87.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.568 ' HD3' ' HZ1' ' C' ' 598' ' ' LYS . 0.1 OUTLIER -62.88 -54.8 33.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.738 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 9.5 tp10 -58.57 -39.4 80.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 179.735 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.586 ' HA ' HD12 ' A' ' 622' ' ' ILE . 19.1 mt -56.18 -43.38 78.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.562 HH22 ' HB ' ' A' ' 616' ' ' VAL . 3.4 ttm105 -66.5 -32.78 74.35 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.04 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.04 -33.03 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.484 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 619' ' ' LEU . 64.7 mt -64.7 -49.42 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.613 -179.673 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.3 mt -61.39 -36.42 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.21 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.357 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.18 87.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.051 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.531 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 29.9 mtt -68.87 -35.53 77.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.809 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 3.1 tmtm? -65.28 -37.37 86.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.57 -39.56 67.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 629' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.0 OUTLIER -64.74 -41.86 95.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.794 179.684 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -43.84 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 631' ' ' LYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 2.5 mttp -64.76 -34.53 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -62.05 -39.39 92.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.983 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 25.4 mt-10 -72.45 -44.14 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.461 . . . . 0.0 111.904 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.32 -42.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.079 179.28 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 635' ' ' LYS . . . . . 0.513 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.52 -40.96 98.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.527 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -37.49 80.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' B' ' 638' ' ' LEU . 6.5 mt -68.32 -33.48 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.63 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.631 ' HA ' HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -63.37 -46.8 84.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.729 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -33.35 75.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.606 ' HB3' HD13 ' B' ' 641' ' ' LEU . 13.5 tt0 -66.81 -44.1 82.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' C' ' 640' ' ' GLU . 1.0 OUTLIER -65.97 -32.48 73.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.742 179.579 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.45 -44.84 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.391 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.69 -45.87 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.271 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 179.895 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.483 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 17.1 mmtt -64.08 -44.08 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -45.0 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.45 -38.77 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.026 0.441 . . . . 0.0 111.175 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 644' ' ' GLU . 0.0 OUTLIER -65.86 -40.06 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.009 -179.789 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -37.92 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.41 91.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.892 ' O ' HG23 ' A' ' 655' ' ' VAL . 9.9 tp -60.9 -40.46 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.425 ' OE1' HD22 ' C' ' 651' ' ' LEU . 0.6 OUTLIER -59.59 -42.13 91.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.122 -179.8 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -45.16 93.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.275 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.04 -42.9 99.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.536 179.629 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.2 t -65.23 -40.97 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.148 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -60.96 -41.08 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.02 -46.37 81.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.6 HD11 ' HD2' ' B' ' 659' ' ' LYS . 9.1 mt -61.13 -43.88 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.68 -179.689 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.595 ' HD2' HD11 ' C' ' 658' ' ' ILE . 10.1 tttt -67.09 -36.54 82.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -41.19 91.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.761 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.54 90.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.332 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.42 -29.6 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.05 -66.78 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -48.92 43.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.676 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 593' ' ' MET . . . . . 0.489 ' HG3' HE21 ' C' ' 615' ' ' GLN . 24.2 mtt -124.33 118.37 26.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.549 -179.572 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.7 ' HB2' ' HB2' ' C' ' 618' ' ' GLU . 34.4 tt0 -67.74 -43.7 79.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.727 -179.752 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 149.29 35.74 0.04 OUTLIER Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.78 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.508 ' N ' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER 47.27 53.1 13.36 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 179.898 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' B' ' 596' ' ' LYS . 92.3 Cg_endo -87.16 -31.38 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.545 2.163 . . . . 0.0 113.062 -179.6 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.555 ' NZ ' ' HD3' ' C' ' 617' ' ' ARG . 1.7 ttmp? -92.96 113.63 25.96 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.043 0.449 . . . . 0.0 111.405 -179.832 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 1.1 ttt -90.29 158.47 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.542 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.452 ' HA ' ' CZ ' ' C' ' 613' ' ' ARG . 3.7 pt-20 -91.43 110.53 43.57 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.79 -20.62 17.2 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.466 2.111 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 602' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' B' ' 607' ' ' ALA . . . -73.29 130.11 39.48 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.387 -179.82 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.26 87.67 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.299 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.72 144.47 27.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -179.617 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 43.5 m -63.8 -34.61 78.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.58 -46.9 83.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.563 ' HB3' ' HB1' ' B' ' 602' ' ' ALA . . . -61.43 -35.13 76.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 1.011 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -64.78 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.473 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 608' ' ' ALA . 85.7 t -68.76 -38.32 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.69 -179.595 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.49 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.9 OUTLIER -55.18 -48.84 73.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.209 0.528 . . . . 0.0 111.799 179.594 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.419 ' O ' ' CG2' ' B' ' 614' ' ' THR . 4.0 mt-10 -59.74 -34.08 72.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.433 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.683 HD21 ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -70.32 -32.35 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.04 -179.715 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.668 ' HG2' HD21 ' A' ' 612' ' ' LEU . 4.4 mtt180 -61.92 -46.29 89.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.956 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.457 ' HB ' ' HA ' ' A' ' 596' ' ' LYS . 1.5 t -64.59 -32.14 73.66 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.659 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.498 HE21 ' HG3' ' A' ' 593' ' ' MET . 2.0 mm-40 -67.87 -46.46 71.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -179.522 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 616' ' ' VAL . . . . . 0.555 ' HB ' HH22 ' B' ' 620' ' ' ARG . 6.0 m -64.94 -40.01 87.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.563 ' HD3' ' NZ ' ' A' ' 598' ' ' LYS . 0.1 OUTLIER -62.86 -54.82 32.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.296 -179.745 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 9.4 tp10 -58.5 -39.43 80.04 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' B' ' 622' ' ' ILE . 19.1 mt -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.007 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.555 HH22 ' HB ' ' B' ' 616' ' ' VAL . 3.4 ttm105 -66.6 -32.81 74.38 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.06 -33.02 65.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' B' ' 619' ' ' LEU . 64.5 mt -64.67 -49.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.643 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.3 mt -61.38 -36.38 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.238 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.79 -45.0 79.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -179.418 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -42.13 86.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.028 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.509 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 29.9 mtt -68.95 -35.45 76.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 3.1 tmtm? -65.3 -37.37 86.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.59 -39.62 67.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.057 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 629' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.0 OUTLIER -64.67 -41.95 95.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.794 179.702 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.45 -44.08 83.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 631' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 2.5 mttp -64.61 -34.59 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -62.03 -39.3 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.013 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 25.5 mt-10 -72.6 -44.11 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 111.852 -178.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.24 -42.36 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.13 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 635' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.476 -179.595 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -37.56 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.965 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' C' ' 638' ' ' LEU . 6.4 mt -68.31 -33.56 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 179.69 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HA ' HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -63.25 -46.84 84.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.119 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.611 ' HB3' HD13 ' C' ' 641' ' ' LEU . 13.6 tt0 -66.82 -44.14 81.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 640' ' ' GLU . 1.0 OUTLIER -65.89 -32.51 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.774 179.534 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 -44.79 77.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.559 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.82 -45.8 93.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.254 179.266 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -66.17 -32.31 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.946 179.83 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 17.1 mmtt -64.04 -44.11 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.88 -44.9 88.16 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.273 -179.662 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.45 -38.74 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.021 0.438 . . . . 0.0 111.243 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' B' ' 644' ' ' GLU . 0.0 OUTLIER -65.82 -40.04 91.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.088 -179.862 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.82 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.65 -39.47 91.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.632 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.874 ' O ' HG23 ' B' ' 655' ' ' VAL . 9.9 tp -60.89 -40.5 93.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.414 ' OE1' HD22 ' A' ' 651' ' ' LEU . 0.6 OUTLIER -59.51 -42.15 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.167 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -45.13 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.01 -42.93 99.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.874 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.2 t -65.22 -40.97 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 -179.454 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -60.97 -41.18 95.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.86 -46.44 81.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' C' ' 659' ' ' LYS . 9.1 mt -61.11 -43.89 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.655 -179.648 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.6 ' HD2' HD11 ' A' ' 658' ' ' ILE . 10.1 tttt -67.11 -36.58 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -41.15 91.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.59 90.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.308 -179.764 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -29.64 69.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.58 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.06 -66.75 0.57 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.68 -48.93 44.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.893 0.377 . . . . 0.0 110.697 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 593' ' ' MET . . . . . 0.495 ' HG3' HE21 ' A' ' 615' ' ' GLN . 24.4 mtt -124.26 118.31 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.588 -179.579 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' A' ' 618' ' ' GLU . 34.4 tt0 -67.72 -43.7 79.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.735 -179.761 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 149.25 35.8 0.04 OUTLIER Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.695 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER 47.25 53.05 13.28 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 110.58 -0.156 . . . . 0.0 110.58 179.824 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' C' ' 596' ' ' LYS . 91.3 Cg_endo -87.12 -31.41 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.595 2.197 . . . . 0.0 113.042 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.568 ' HZ1' ' HD3' ' A' ' 617' ' ' ARG . 1.7 ttmp? -93.01 113.63 25.96 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.057 0.456 . . . . 0.0 111.447 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 1.1 ttt -90.22 158.42 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 3.7 pt-20 -91.43 110.55 43.7 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.963 179.876 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.72 -20.69 17.32 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.486 2.124 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 602' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' C' ' 607' ' ' ALA . . . -73.18 130.09 39.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.398 -179.806 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.24 87.47 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.327 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.68 144.44 27.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m -63.77 -34.63 78.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.56 -46.83 84.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 607' ' ' ALA . . . . . 0.542 ' HB3' ' HB1' ' C' ' 602' ' ' ALA . . . -61.41 -35.22 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 1.038 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -64.82 -33.64 76.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.497 -179.752 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 1.011 HG11 ' HB1' ' B' ' 608' ' ' ALA . 86.2 t -68.74 -38.36 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 610' ' ' GLU . . . . . 0.501 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.9 OUTLIER -55.17 -48.94 73.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.13 0.491 . . . . 0.0 111.752 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.418 ' O ' ' CG2' ' C' ' 614' ' ' THR . 4.0 mt-10 -59.64 -34.15 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -70.25 -32.4 70.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 111.106 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.683 ' HG2' HD21 ' B' ' 612' ' ' LEU . 4.4 mtt180 -61.8 -46.26 90.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.031 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.453 ' CG2' ' HG2' ' B' ' 593' ' ' MET . 1.5 t -64.69 -32.09 73.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.569 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 615' ' ' GLN . . . . . 0.489 HE21 ' HG3' ' B' ' 593' ' ' MET . 2.0 mm-40 -67.94 -46.55 71.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 111.104 -179.44 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 616' ' ' VAL . . . . . 0.563 ' HB ' HH22 ' C' ' 620' ' ' ARG . 6.0 m -64.84 -40.04 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 617' ' ' ARG . . . . . 0.555 ' HD3' ' NZ ' ' B' ' 598' ' ' LYS . 0.1 OUTLIER -62.87 -54.82 32.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.345 -179.759 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.7 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 9.4 tp10 -58.54 -39.39 80.05 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' C' ' 622' ' ' ILE . 19.1 mt -56.14 -43.48 78.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 620' ' ' ARG . . . . . 0.563 HH22 ' HB ' ' C' ' 616' ' ' VAL . 3.4 ttm105 -66.51 -32.75 74.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.3 m -73.07 -33.03 65.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.609 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' C' ' 619' ' ' LEU . 64.9 mt -64.7 -49.44 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.682 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.3 mt -61.44 -36.39 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.163 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.83 -45.0 79.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.22 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.17 87.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.019 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.511 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 29.9 mtt -68.91 -35.51 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 3.1 tmtm? -65.21 -37.39 87.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.63 -39.57 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 629' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.0 OUTLIER -64.72 -41.94 95.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.808 179.71 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -66.51 -43.98 83.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 631' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 2.5 mttp -64.75 -34.56 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -62.07 -39.3 91.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 25.4 mt-10 -72.56 -44.04 62.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 111.926 -179.037 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.32 -42.42 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.103 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 635' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -40.95 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.465 -179.552 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.57 80.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 638' ' ' LEU . 6.5 mt -68.23 -33.53 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.618 ' HA ' HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -63.38 -46.76 84.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.148 -179.693 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -33.33 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.597 ' HB3' HD13 ' A' ' 641' ' ' LEU . 13.5 tt0 -66.9 -44.14 81.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.992 0.425 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' B' ' 640' ' ' GLU . 1.0 OUTLIER -65.93 -32.42 73.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.759 179.573 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.54 -44.78 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.503 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.79 -45.81 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 179.274 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -66.2 -32.38 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.851 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 17.1 mmtt -64.01 -44.09 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.86 -44.94 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 -179.656 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.47 -38.8 77.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.043 0.449 . . . . 0.0 111.229 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' C' ' 644' ' ' GLU . 0.0 OUTLIER -65.79 -40.01 91.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.037 -179.808 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -37.92 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.39 91.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.672 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.871 ' O ' HG23 ' C' ' 655' ' ' VAL . 9.9 tp -60.87 -40.53 93.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' B' ' 651' ' ' LEU . 0.6 OUTLIER -59.52 -42.11 91.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.211 -179.809 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.336 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -62.11 -42.94 99.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.527 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.871 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.0 t -65.09 -41.06 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -61.0 -41.04 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.03 -46.34 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 179.585 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.595 HD11 ' HD2' ' A' ' 659' ' ' LYS . 9.1 mt -61.17 -43.9 97.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.656 -179.647 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.593 ' HD2' HD11 ' B' ' 658' ' ' ILE . 10.0 tttt -67.03 -36.55 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -41.24 91.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.57 90.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.304 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -29.75 69.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.55 37.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.02 -66.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -82.18 -47.86 11.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.591 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 3.2 mtt -120.2 146.32 46.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.563 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 594' ' ' GLU . . . . . 0.727 ' HB2' ' HB2' ' B' ' 618' ' ' GLU . 27.2 tt0 -101.29 -15.0 17.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.766 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 120.27 33.38 1.04 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.757 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 596' ' ' LYS . . . . . 0.603 ' HA ' ' HB ' ' B' ' 614' ' ' THR . 0.0 OUTLIER 55.76 57.77 10.06 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.626 -0.139 . . . . 0.0 110.626 179.816 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.499 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 92.9 Cg_endo -86.95 -15.43 3.81 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.553 2.169 . . . . 0.0 113.026 -179.538 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 598' ' ' LYS . . . . . 0.516 ' HB3' ' HB3' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -107.57 152.32 24.43 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.09 0.471 . . . . 0.0 111.401 -179.855 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.444 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 0.7 OUTLIER -131.43 150.64 52.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.566 179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.52 ' HA ' ' CZ ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -83.35 107.87 11.27 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.98 179.897 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 599' ' ' MET . 66.4 Cg_endo -72.33 -21.74 22.71 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.452 2.101 . . . . 0.0 112.375 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -81.3 135.01 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.367 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -69.23 -44.92 71.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.338 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 3.2 p -78.47 141.02 38.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 609' ' ' VAL . 1.4 m -65.3 -35.17 80.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.949 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.05 -44.13 85.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.47 81.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 608' ' ' ALA . . . . . 0.54 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -64.65 -33.95 77.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.714 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 605' ' ' SER . 44.3 t -67.21 -33.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.653 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -38.46 82.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.151 0.5 . . . . 0.0 111.758 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.75 -38.9 92.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 612' ' ' LEU . . . . . 0.64 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.7 -40.6 84.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.118 -179.8 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.616 ' HG2' HD21 ' C' ' 612' ' ' LEU . 6.8 mtt180 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.026 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.611 ' HB ' ' HA ' ' C' ' 596' ' ' LYS . 7.0 t -70.42 -25.78 63.37 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.613 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.84 -47.1 63.99 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.977 0.417 . . . . 0.0 111.192 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.82 -39.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.69 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.324 -179.751 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 3.9 tp10 -63.37 -33.5 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 1.009 ' HA ' HD12 ' A' ' 622' ' ' ILE . 2.4 mt -61.38 -45.97 92.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 620' ' ' ARG . . . . . 0.4 ' HG3' HD21 ' C' ' 619' ' ' LEU . 1.3 mtm105 -61.19 -37.5 83.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 39.1 m -66.03 -35.05 79.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.64 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 1.009 HD12 ' HA ' ' A' ' 619' ' ' LEU . 26.6 mt -60.98 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.63 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 623' ' ' ILE . . . . . 0.669 HD13 HG12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.94 -33.31 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.236 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.11 -44.22 84.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -42.42 74.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.014 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.464 ' SD ' HG22 ' B' ' 623' ' ' ILE . 14.9 mtt -62.7 -40.63 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.441 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 1.4 tmtm? -67.56 -37.85 83.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.02 -39.21 83.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.72 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 630' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -67.59 -32.88 73.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.951 -179.772 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.22 -41.29 81.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.18 -40.07 93.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.001 179.67 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 633' ' ' GLU . . . . . 0.773 ' HB3' HG21 ' B' ' 634' ' ' ILE . 14.0 mt-10 -64.85 -42.09 95.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.038 0.447 . . . . 0.0 111.855 -179.059 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.788 HG21 ' HB3' ' C' ' 633' ' ' GLU . 98.1 mt -65.37 -42.14 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.062 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.465 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.8 76.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 637' ' ' LEU . . . . . 0.596 HD12 HG23 ' B' ' 634' ' ' ILE . 0.2 OUTLIER -63.34 -44.58 94.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.549 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 1.3 mt -61.64 -36.69 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.731 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -41.92 98.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.796 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.472 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.5 tt0 -65.16 -45.03 86.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.845 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 641' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -59.96 -40.86 90.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.799 179.576 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.4 -38.66 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.504 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.89 -47.99 75.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 644' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 647' ' ' ILE . 4.3 tt0 -62.54 -35.39 79.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.454 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 15.0 mmtt -59.69 -49.21 78.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.758 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -44.76 95.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.9 mt -64.16 -40.95 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 111.179 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 0.0 OUTLIER -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.745 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -40.46 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.7 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.76 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.723 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.851 HD11 HG21 ' B' ' 655' ' ' VAL . 11.6 tp -65.28 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 652' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' C' ' 651' ' ' LEU . 0.4 OUTLIER -62.83 -38.03 89.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 653' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 653' ' ' MET . 0.4 OUTLIER -59.99 -42.43 94.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.763 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.13 85.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.809 HG21 HD11 ' C' ' 651' ' ' LEU . 78.7 t -62.58 -44.54 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.24 -179.548 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.91 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.79 83.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.725 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.452 HG22 HG21 ' C' ' 658' ' ' ILE . 17.1 mt -65.47 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.632 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.494 ' HG2' ' OE1' ' A' ' 663' ' ' GLN . 10.6 tttm -64.19 -44.2 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.767 0.318 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.755 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.99 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.308 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -28.49 66.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.592 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 663' ' ' GLN . . . . . 0.494 ' OE1' ' HG2' ' A' ' 659' ' ' LYS . 11.1 mt-30 -80.11 -33.29 38.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -39.7 80.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.033 -179.999 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.591 -0.204 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -82.13 -47.9 11.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.954 0.406 . . . . 0.0 110.653 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 3.2 mtt -120.16 146.32 46.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.567 -179.508 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 594' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' C' ' 618' ' ' GLU . 27.2 tt0 -101.3 -15.04 17.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.735 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 120.26 33.38 1.04 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.728 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 596' ' ' LYS . . . . . 0.615 ' HA ' ' HB ' ' C' ' 614' ' ' THR . 0.0 OUTLIER 55.76 57.77 10.05 Favored Pre-proline 0 CA--C 1.532 0.252 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 179.783 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 597' ' ' PRO . . . . . 0.492 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.3 Cg_endo -86.95 -15.4 3.81 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.569 2.18 . . . . 0.0 112.996 -179.553 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 598' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -107.58 152.23 24.55 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.056 0.455 . . . . 0.0 111.431 -179.832 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.451 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 0.7 OUTLIER -131.34 150.61 52.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.59 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 600' ' ' GLU . . . . . 0.511 ' HA ' ' CZ ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -83.39 107.87 11.3 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.92 179.899 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 601' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' B' ' 599' ' ' MET . 67.0 Cg_endo -72.24 -21.85 22.88 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.47 2.113 . . . . 0.0 112.427 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -81.26 134.99 35.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.448 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -69.16 -44.99 71.13 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.311 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 3.2 p -78.46 140.96 38.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.638 ' O ' HG23 ' B' ' 609' ' ' VAL . 1.4 m -65.23 -35.2 80.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.924 -179.859 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -65.96 -44.21 85.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.49 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 608' ' ' ALA . . . . . 0.538 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -64.66 -33.91 77.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.407 -179.739 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 609' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 605' ' ' SER . 44.6 t -67.24 -33.17 61.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.528 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -38.37 82.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 111.8 179.62 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 611' ' ' GLU . . . . . 0.4 ' O ' HG22 ' B' ' 614' ' ' THR . 1.6 mt-10 -64.79 -38.9 92.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.438 179.427 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 612' ' ' LEU . . . . . 0.648 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 0.9 OUTLIER -67.77 -40.61 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.091 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.609 ' HG2' HD21 ' A' ' 612' ' ' LEU . 6.8 mtt180 -54.64 -46.63 73.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 614' ' ' THR . . . . . 0.603 ' HB ' ' HA ' ' A' ' 596' ' ' LYS . 6.9 t -70.46 -25.78 63.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.607 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.8 -47.19 63.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 111.144 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.81 -39.91 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -58.71 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.33 -179.714 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 618' ' ' GLU . . . . . 0.727 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 3.9 tp10 -63.28 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.982 179.631 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 619' ' ' LEU . . . . . 0.965 ' HA ' HD12 ' B' ' 622' ' ' ILE . 2.4 mt -61.43 -45.9 92.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.723 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 620' ' ' ARG . . . . . 0.408 ' HG3' HD21 ' A' ' 619' ' ' LEU . 1.3 mtm105 -61.29 -37.43 83.15 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.13 -34.99 79.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 622' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' B' ' 619' ' ' LEU . 26.5 mt -60.95 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.654 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 623' ' ' ILE . . . . . 0.658 HG12 HD13 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.97 -33.28 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.194 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.15 -44.26 84.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.262 -179.361 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -42.46 74.31 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.007 179.779 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 626' ' ' MET . . . . . 0.465 ' SD ' HG22 ' C' ' 623' ' ' ILE . 15.0 mtt -62.7 -40.62 97.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.796 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 1.4 tmtm? -67.48 -37.87 83.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.063 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -67.94 -39.3 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -42.68 85.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 630' ' ' GLN . . . . . 0.428 ' CG ' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -67.63 -32.87 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.755 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.27 -41.24 81.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.2 -40.05 93.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.988 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 633' ' ' GLU . . . . . 0.762 ' HB3' HG21 ' C' ' 634' ' ' ILE . 14.0 mt-10 -64.92 -42.06 95.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.054 0.454 . . . . 0.0 111.859 -178.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 634' ' ' ILE . . . . . 0.773 HG21 ' HB3' ' A' ' 633' ' ' GLU . 97.9 mt -65.36 -42.13 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.9 91.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.448 -179.525 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.77 76.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.957 179.803 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 637' ' ' LEU . . . . . 0.599 HD12 HG23 ' C' ' 634' ' ' ILE . 0.2 OUTLIER -63.28 -44.57 94.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.753 179.596 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 638' ' ' LEU . . . . . 0.551 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 1.3 mt -61.74 -36.55 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -41.97 98.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 640' ' ' GLU . . . . . 0.455 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.5 tt0 -65.07 -45.09 86.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.555 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -59.97 -40.86 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.787 179.591 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.45 -38.59 90.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.468 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.88 -48.04 75.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.251 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 644' ' ' GLU . . . . . 0.75 ' HA ' HD12 ' B' ' 647' ' ' ILE . 4.3 tt0 -62.42 -35.52 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 645' ' ' LYS . . . . . 0.472 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 15.0 mmtt -59.61 -49.3 78.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -44.8 94.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 647' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.9 mt -64.18 -40.98 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.039 0.447 . . . . 0.0 111.189 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 648' ' ' ARG . . . . . 0.574 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.0 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.68 -35.8 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.855 HD11 HG21 ' C' ' 655' ' ' VAL . 11.7 tp -65.23 -38.67 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.745 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 652' ' ' GLN . . . . . 0.477 ' OE1' ' HB2' ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.7 -38.18 89.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.144 -179.818 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 653' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' B' ' 653' ' ' MET . 0.4 OUTLIER -59.86 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 111.282 -179.684 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.0 85.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.527 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 655' ' ' VAL . . . . . 0.851 HG21 HD11 ' A' ' 651' ' ' LEU . 82.0 t -62.66 -44.6 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.53 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.77 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.34 -45.7 83.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.674 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 658' ' ' ILE . . . . . 0.449 HG21 HG22 ' C' ' 658' ' ' ILE . 17.3 mt -65.54 -39.12 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.609 -179.631 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 659' ' ' LYS . . . . . 0.495 ' HG2' ' OE1' ' B' ' 663' ' ' GLN . 10.6 tttm -64.17 -44.24 92.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -48.44 81.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.87 76.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.525 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 663' ' ' GLN . . . . . 0.495 ' OE1' ' HG2' ' B' ' 659' ' ' LYS . 11.3 mt-30 -80.06 -33.32 39.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -39.62 80.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.194 -0.907 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -82.19 -47.9 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 3.2 mtt -120.21 146.32 46.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.552 -179.505 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 594' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 618' ' ' GLU . 27.2 tt0 -101.28 -15.05 17.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.745 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 120.29 33.23 1.05 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.751 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.611 ' HA ' ' HB ' ' A' ' 614' ' ' THR . 0.0 OUTLIER 55.88 57.76 9.88 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 179.789 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 597' ' ' PRO . . . . . 0.502 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 92.3 Cg_endo -86.91 -15.47 3.83 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.571 2.18 . . . . 0.0 113.008 -179.596 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 598' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -107.55 152.24 24.52 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.077 0.465 . . . . 0.0 111.441 -179.85 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 599' ' ' MET . . . . . 0.442 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 0.7 OUTLIER -131.4 150.64 52.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.567 179.92 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 600' ' ' GLU . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -83.3 107.83 11.05 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.005 179.918 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 601' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' C' ' 599' ' ' MET . 67.0 Cg_endo -72.24 -21.83 22.92 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.479 2.119 . . . . 0.0 112.37 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -81.33 135.05 35.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.396 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.03 71.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 3.3 p -78.44 141.05 38.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -179.646 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 605' ' ' SER . . . . . 0.633 ' O ' HG23 ' C' ' 609' ' ' VAL . 1.4 m -65.39 -35.1 79.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.972 -179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -65.97 -44.15 85.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.48 81.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.538 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -64.63 -33.9 77.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.438 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 609' ' ' VAL . . . . . 0.633 HG23 ' O ' ' C' ' 605' ' ' SER . 44.6 t -67.24 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.629 -179.55 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -38.37 82.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 111.782 179.637 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.424 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.648 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.76 -40.63 84.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.078 -179.759 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 613' ' ' ARG . . . . . 0.598 ' HG2' HD21 ' B' ' 612' ' ' LEU . 6.8 mtt180 -54.58 -46.73 73.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 614' ' ' THR . . . . . 0.615 ' HB ' ' HA ' ' B' ' 596' ' ' LYS . 7.0 t -70.33 -25.86 63.5 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.81 -47.1 64.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.208 -179.476 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.92 -39.79 86.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.73 -52.88 63.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.393 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 618' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 3.9 tp10 -63.35 -33.53 75.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.009 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 619' ' ' LEU . . . . . 0.985 ' HA ' HD12 ' C' ' 622' ' ' ILE . 2.3 mt -61.45 -45.89 92.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -61.3 -37.33 82.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.22 -34.99 79.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.618 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 622' ' ' ILE . . . . . 0.985 HD12 ' HA ' ' C' ' 619' ' ' LEU . 26.4 mt -60.93 -47.85 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.664 -179.726 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 623' ' ' ILE . . . . . 0.669 HG12 HD13 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -63.94 -33.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.03 -44.33 84.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.288 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -42.46 74.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.939 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 626' ' ' MET . . . . . 0.46 ' SD ' HG22 ' A' ' 623' ' ' ILE . 14.9 mtt -62.64 -40.69 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.809 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 627' ' ' LYS . . . . . 0.447 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 1.4 tmtm? -67.5 -37.85 83.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.0 -39.18 83.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.022 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.73 85.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.784 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 630' ' ' GLN . . . . . 0.428 ' HB3' ' CG ' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -67.6 -32.9 73.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.746 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -68.2 -41.28 81.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.953 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.788 ' HB3' HG21 ' A' ' 634' ' ' ILE . 13.9 mt-10 -64.93 -42.08 94.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.097 0.475 . . . . 0.0 111.871 -178.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 634' ' ' ILE . . . . . 0.762 HG21 ' HB3' ' B' ' 633' ' ' GLU . 97.9 mt -65.37 -42.13 92.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.073 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.92 90.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.441 -179.527 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -36.84 76.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 637' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 634' ' ' ILE . 0.2 OUTLIER -63.19 -44.65 94.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.802 179.582 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 638' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 1.3 mt -61.67 -36.64 81.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.694 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.747 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 640' ' ' GLU . . . . . 0.454 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 31.4 tt0 -65.05 -45.08 86.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.069 0.461 . . . . 0.0 110.926 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 641' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -59.94 -40.83 90.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.805 179.529 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.47 -38.59 90.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.512 -179.382 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.87 -48.1 75.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.22 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 644' ' ' GLU . . . . . 0.732 ' HA ' HD12 ' C' ' 647' ' ' ILE . 4.4 tt0 -62.44 -35.47 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.789 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 645' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 15.0 mmtt -59.64 -49.3 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -44.86 94.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 647' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.9 mt -64.21 -40.88 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.034 0.445 . . . . 0.0 111.225 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 648' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.0 OUTLIER -62.5 -42.4 99.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.041 -179.867 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -40.44 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.79 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.711 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.809 HD11 HG21 ' A' ' 655' ' ' VAL . 11.7 tp -65.23 -38.71 91.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 652' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' B' ' 651' ' ' LEU . 0.4 OUTLIER -62.69 -38.14 89.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.231 -179.868 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 653' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' C' ' 653' ' ' MET . 0.4 OUTLIER -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.279 -179.779 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.01 85.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.561 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.855 HG21 HD11 ' B' ' 651' ' ' LEU . 80.9 t -62.63 -44.55 99.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.558 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.88 -34.8 78.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.78 83.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 658' ' ' ILE . . . . . 0.452 HG21 HG22 ' A' ' 658' ' ' ILE . 17.2 mt -65.48 -39.09 84.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.678 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 659' ' ' LYS . . . . . 0.495 ' HG2' ' OE1' ' C' ' 663' ' ' GLN . 10.6 tttm -64.26 -44.18 92.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -48.56 80.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.92 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -28.43 65.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.593 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 663' ' ' GLN . . . . . 0.495 ' OE1' ' HG2' ' C' ' 659' ' ' LYS . 11.1 mt-30 -80.12 -33.25 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.57 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.062 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 609' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.746 0.307 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 609' ' ' VAL . 12.0 pt20 -72.36 -37.59 68.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.66 -37.56 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.818 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.48 91.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.422 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 605' ' ' SER . 2.6 m -67.5 -39.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.16 -37.57 85.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 111.756 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.503 ' HB2' HH22 ' B' ' 613' ' ' ARG . 2.5 mt-10 -72.68 -39.52 67.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' B' ' 613' ' ' ARG . 0.6 OUTLIER -67.84 -35.21 78.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.101 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.678 ' O ' ' HD2' ' A' ' 617' ' ' ARG . 2.9 mtt-85 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.025 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.43 -42.24 98.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.645 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -65.97 -37.37 85.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 619' ' ' LEU . 1.0 OUTLIER -61.23 -45.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.678 ' HD2' ' O ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.69 -39.97 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.336 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.8 tp10 -60.06 -34.45 73.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 622' ' ' ILE . 10.7 mt -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.99 -36.32 76.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.41 -36.08 76.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.758 HG22 HG21 ' B' ' 623' ' ' ILE . 54.2 mt -64.28 -43.02 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.623 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.726 HG21 HG22 ' C' ' 622' ' ' ILE . 16.4 mt -64.88 -41.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.33 71.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.238 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . 0.473 HG22 ' NE2' ' A' ' 629' ' ' GLN . 2.2 m -62.21 -40.87 97.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.497 ' O ' ' HD3' ' A' ' 631' ' ' LYS . 39.0 tttp -65.0 -37.57 88.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -41.54 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.473 ' NE2' HG22 ' A' ' 625' ' ' THR . 1.4 mp0 -63.4 -46.82 84.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.575 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.0 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 -179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.662 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 0.3 OUTLIER -65.15 -37.89 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.79 -47.53 84.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.964 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.588 ' HB3' HG21 ' B' ' 634' ' ' ILE . 8.1 mm-40 -60.17 -37.27 79.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.052 0.453 . . . . 0.0 111.872 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' C' ' 633' ' ' GLU . 11.4 mt -63.9 -40.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.069 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.662 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 1.1 mpmm? -63.1 -42.98 99.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.26 90.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.16 -44.2 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' C' ' 637' ' ' LEU . 11.9 mt -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.29 -40.12 93.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.8 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.77 -42.57 95.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.985 0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.408 ' HG ' HD11 ' B' ' 641' ' ' LEU . 0.3 OUTLIER -64.57 -33.29 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.788 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . 0.589 ' O ' ' HD2' ' A' ' 646' ' ' LYS . 14.3 m-20 -65.66 -49.13 69.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.565 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 646' ' ' LYS . 3.3 mm-40 -63.36 -37.2 86.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.212 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -41.11 97.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 641' ' ' LEU . 4.2 mtpt -64.51 -34.18 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.589 ' HD2' ' O ' ' A' ' 642' ' ' ASP . 2.6 mttt -61.74 -41.65 97.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.401 ' HA ' ' HE ' ' A' ' 650' ' ' ARG . 9.8 mt -69.28 -42.13 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.151 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 2.1 ttp-105 -61.19 -42.67 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 21.8 mt -59.12 -41.01 87.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 20.3 mtm180 -66.09 -37.57 86.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.844 HD22 ' HG2' ' B' ' 652' ' ' GLN . 26.9 tp -66.76 -36.94 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.844 ' HG2' HD22 ' C' ' 651' ' ' LEU . 4.1 mt-30 -62.06 -40.56 96.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 15.9 mtt -66.45 -38.69 87.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.267 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.74 -41.74 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.95 -33.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 111.247 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 48.5 m-20 -59.86 -38.55 82.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.51 -41.48 79.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.768 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.459 ' CG1' ' HE3' ' B' ' 659' ' ' LYS . 93.7 mt -67.08 -36.55 77.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.64 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.451 ' HE3' ' CG1' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -65.94 -40.85 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.749 0.309 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 3.9 mtpt -55.77 -51.22 68.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.925 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.5 72.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.306 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.2 OUTLIER -66.17 -29.23 69.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.492 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.96 -22.18 23.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.49 ' O ' HG22 ' B' ' 609' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.794 0.331 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . 0.419 ' O ' HG23 ' B' ' 609' ' ' VAL . 12.1 pt20 -72.29 -37.75 68.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.45 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.45 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 605' ' ' SER . 2.6 m -67.54 -39.9 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.21 -37.58 85.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.103 0.478 . . . . 0.0 111.725 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.5 ' HB2' HH22 ' C' ' 613' ' ' ARG . 2.5 mt-10 -72.65 -39.51 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.94 -35.09 77.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.078 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.681 ' O ' ' HD2' ' B' ' 617' ' ' ARG . 2.9 mtt-85 -62.25 -41.09 98.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.8 m -61.49 -42.22 98.46 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.664 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.01 -37.35 85.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.156 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.661 ' HA ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -61.16 -45.65 98.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.681 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -67.72 -39.88 84.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.325 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.8 tp10 -60.13 -34.45 73.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' B' ' 616' ' ' VAL . 10.6 mt -65.98 -44.33 85.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.91 -36.25 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.0 p -69.43 -36.06 76.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.75 HG22 HG21 ' C' ' 623' ' ' ILE . 54.0 mt -64.4 -42.95 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.644 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.758 HG21 HG22 ' A' ' 622' ' ' ILE . 16.4 mt -64.91 -41.16 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -50.35 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . 0.471 HG22 ' NE2' ' B' ' 629' ' ' GLN . 2.3 m -62.25 -40.76 97.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.6 90.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.492 ' O ' ' HD3' ' B' ' 631' ' ' LYS . 39.1 tttp -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -41.47 81.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.471 ' NE2' HG22 ' B' ' 625' ' ' THR . 1.4 mp0 -63.49 -46.77 84.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -65.04 -37.76 88.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.0 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.653 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 0.3 OUTLIER -65.18 -37.86 88.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.77 -47.51 84.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.958 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' C' ' 634' ' ' ILE . 8.1 mm-40 -60.11 -37.37 79.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.126 0.488 . . . . 0.0 111.888 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' A' ' 633' ' ' GLU . 11.4 mt -63.85 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.119 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.653 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -43.01 99.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.442 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -38.26 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' C' ' 637' ' ' LEU . 0.8 OUTLIER -64.13 -44.25 92.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.402 ' CD2' ' HG ' ' A' ' 637' ' ' LEU . 11.8 mt -65.55 -36.04 82.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.27 -40.11 93.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.801 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.73 -42.55 95.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.414 ' HG ' HD11 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -64.6 -33.3 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.751 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . 0.585 ' O ' ' HD2' ' B' ' 646' ' ' LYS . 14.3 m-20 -65.71 -49.19 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.463 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.524 ' HA ' ' HD2' ' B' ' 646' ' ' LYS . 3.3 mm-40 -63.28 -37.25 86.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.238 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -41.06 97.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' B' ' 641' ' ' LEU . 4.2 mtpt -64.55 -34.13 77.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.585 ' HD2' ' O ' ' B' ' 642' ' ' ASP . 2.6 mttt -61.67 -41.79 98.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.272 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.13 -42.19 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 111.219 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 2.2 ttp-105 -61.18 -42.71 99.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.97 -41.06 86.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 20.3 mtm180 -66.15 -37.55 85.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.843 HD22 ' HG2' ' C' ' 652' ' ' GLN . 26.7 tp -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.844 ' HG2' HD22 ' A' ' 651' ' ' LEU . 4.1 mt-30 -62.13 -40.58 96.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.157 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.41 -38.65 87.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 111.291 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.78 -41.67 98.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.99 -33.87 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 111.203 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 49.1 m-20 -59.81 -38.54 82.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.56 -41.38 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.449 ' CG1' ' HE3' ' C' ' 659' ' ' LYS . 93.4 mt -67.09 -36.6 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.676 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.459 ' HE3' ' CG1' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -65.89 -40.88 91.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.049 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 3.9 mtpt -55.79 -51.2 68.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.59 72.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 662' ' ' LEU . 0.2 OUTLIER -66.14 -29.23 69.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.491 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.94 -22.23 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.498 ' O ' HG22 ' C' ' 609' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . 0.419 ' O ' HG23 ' C' ' 609' ' ' VAL . 12.1 pt20 -72.29 -37.62 68.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.48 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.55 91.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.463 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.498 HG22 ' O ' ' C' ' 605' ' ' SER . 2.6 m -67.44 -39.94 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.614 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.08 -37.69 85.98 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.182 0.515 . . . . 0.0 111.788 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.508 ' HB2' HH22 ' A' ' 613' ' ' ARG . 2.5 mt-10 -72.6 -39.49 67.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.9 -35.17 78.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.084 -179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.684 ' O ' ' HD2' ' C' ' 617' ' ' ARG . 3.0 mtt-85 -62.12 -41.13 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.51 -42.24 98.51 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.633 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -65.92 -37.46 86.12 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 111.131 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' C' ' 619' ' ' LEU . 1.0 OUTLIER -61.12 -45.59 98.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.684 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.73 -39.94 84.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.334 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.437 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.8 tp10 -59.98 -34.51 73.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.7 mt -66.05 -44.26 85.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 620' ' ' ARG . 6.1 ttm105 -59.9 -36.3 76.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.42 -36.07 76.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.726 HG22 HG21 ' A' ' 623' ' ' ILE . 53.8 mt -64.37 -42.99 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.585 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.75 HG21 HG22 ' B' ' 622' ' ' ILE . 16.6 mt -64.89 -41.17 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.204 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -50.35 71.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.244 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . 0.474 HG22 ' NE2' ' C' ' 629' ' ' GLN . 2.2 m -62.24 -40.82 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.017 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.56 89.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.491 ' O ' ' HD3' ' C' ' 631' ' ' LYS . 39.0 tttp -64.97 -37.46 87.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -41.46 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.474 ' NE2' HG22 ' C' ' 625' ' ' THR . 1.4 mp0 -63.51 -46.78 84.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.575 ' HG2' ' HB3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.95 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.666 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 0.3 OUTLIER -65.1 -37.96 89.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.76 -47.45 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.013 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.583 ' HB3' HG21 ' A' ' 634' ' ' ILE . 8.1 mm-40 -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.074 0.464 . . . . 0.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.595 HG21 ' HB3' ' B' ' 633' ' ' GLU . 11.4 mt -63.8 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.09 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.666 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -42.94 99.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.479 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.2 90.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.946 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.2 -44.24 92.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.401 ' CD2' ' HG ' ' B' ' 637' ' ' LEU . 11.8 mt -65.55 -36.1 82.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.22 -40.08 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.81 -42.61 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.006 0.432 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -64.51 -33.31 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.777 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . 0.595 ' O ' ' HD2' ' C' ' 646' ' ' LYS . 14.3 m-20 -65.7 -49.13 69.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.543 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.511 ' HA ' ' HD2' ' C' ' 646' ' ' LYS . 3.3 mm-40 -63.31 -37.26 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.216 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.07 97.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' C' ' 641' ' ' LEU . 4.2 mtpt -64.6 -34.14 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.595 ' HD2' ' O ' ' C' ' 642' ' ' ASP . 2.6 mttt -61.77 -41.64 97.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.403 ' HA ' ' HE ' ' C' ' 650' ' ' ARG . 9.5 mt -69.16 -42.15 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.089 0.471 . . . . 0.0 111.209 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 2.2 ttp-105 -61.28 -42.63 98.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.08 -41.03 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.743 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 20.3 mtm180 -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.737 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.844 HD22 ' HG2' ' A' ' 652' ' ' GLN . 26.6 tp -66.75 -36.92 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.799 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.843 ' HG2' HD22 ' B' ' 651' ' ' LEU . 4.1 mt-30 -62.17 -40.43 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.184 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.55 -38.61 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.272 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.72 -41.71 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.0 -33.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.955 0.407 . . . . 0.0 111.175 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -59.88 -38.45 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.58 -41.46 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.451 ' CG1' ' HE3' ' A' ' 659' ' ' LYS . 93.6 mt -66.99 -36.67 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.604 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -65.85 -40.85 92.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 111.072 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -55.84 -51.25 68.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.362 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' C' ' 662' ' ' LEU . 0.2 OUTLIER -66.13 -29.21 69.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -89.05 -22.13 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.41 146.97 48.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.487 ' HG2' ' OXT' ' C' ' 665' ' ' LYS . 8.3 tttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 609' ' ' VAL . 30.1 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 606' ' ' GLN . 1.4 mm-40 -66.11 -35.67 81.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.04 93.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.73 99.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 609' ' ' VAL . 0.5 OUTLIER -62.29 -32.19 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.551 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.74 -39.76 66.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.158 0.504 . . . . 0.0 111.8 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.74 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.47 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' B' ' 613' ' ' ARG . 0.8 OUTLIER -63.14 -40.33 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.972 ' HA ' HD21 ' C' ' 612' ' ' LEU . 3.3 ttm105 -60.47 -41.32 93.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -44.53 96.79 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.668 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -70.0 -41.27 74.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.72 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -45.09 94.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.452 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.3 tm-20 -68.51 -33.01 73.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.845 HD21 ' HG3' ' B' ' 620' ' ' ARG . 2.4 mt -66.41 -36.23 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.87 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.5 OUTLIER -63.36 -44.15 95.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.32 -33.43 75.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 626' ' ' MET . 71.3 mt -66.39 -44.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.665 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 620' ' ' ARG . 5.4 mt -62.58 -42.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.216 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -49.25 77.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.29 -35.28 76.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.992 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.606 ' SD ' HG22 ' A' ' 622' ' ' ILE . 4.1 mtt -66.96 -37.18 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.569 ' HG3' ' HG2' ' C' ' 626' ' ' MET . 1.0 OUTLIER -68.81 -30.52 69.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.067 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -51.59 22.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.041 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.454 HE21 ' HG3' ' A' ' 633' ' ' GLU . 28.8 tp60 -61.98 -36.5 81.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.619 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.83 -45.46 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.51 ' HE2' ' OE2' ' C' ' 633' ' ' GLU . 0.1 OUTLIER -67.45 -36.25 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -64.24 -47.45 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.985 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.578 ' HB3' HG21 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -59.91 -44.15 94.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 111.898 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.597 HG21 ' HB3' ' C' ' 633' ' ' GLU . 87.4 mt -63.13 -41.52 93.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.448 ' HA ' ' CE ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -60.28 -43.48 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.383 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.91 -39.91 87.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.716 HD11 HD12 ' B' ' 638' ' ' LEU . 2.5 mt -62.8 -35.27 79.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.699 HD12 HD11 ' C' ' 637' ' ' LEU . 0.3 OUTLIER -65.5 -46.42 79.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -39.12 91.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.756 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -43.31 98.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.007 0.432 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.619 HD22 ' HE2' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.809 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.27 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.476 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.583 ' HG2' HD11 ' A' ' 647' ' ' ILE . 53.9 tt0 -65.35 -42.59 92.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.4 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.619 ' HE2' HD22 ' A' ' 641' ' ' LEU . 43.4 mttm -61.22 -44.39 97.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.583 HD11 ' HG2' ' A' ' 643' ' ' GLU . 7.7 mt -66.81 -41.93 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 111.279 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 648' ' ' ARG . 0.9 OUTLIER -66.53 -36.52 82.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.017 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.55 -43.86 96.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.18 -33.35 75.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.68 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -62.32 -46.59 88.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.94 79.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.19 -43.13 96.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.332 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.64 -45.0 95.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.561 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.2 t -61.2 -35.08 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.429 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 2.4 t30 -65.14 -41.62 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.12 -49.72 73.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.733 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.612 HG13 HD13 ' B' ' 662' ' ' LEU . 4.9 tt -64.16 -38.94 83.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -63.23 -37.78 88.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.096 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 0.3 OUTLIER -64.08 -35.64 81.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.458 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -75.99 -43.37 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.609 HD13 HG13 ' C' ' 658' ' ' ILE . 0.7 OUTLIER -62.18 -35.92 80.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.51 -27.98 41.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 609' ' ' VAL . 30.1 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.79 0.329 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.23 -35.63 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.09 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.7 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 605' ' ' SER . 0.5 OUTLIER -62.31 -32.14 53.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.71 -39.85 66.64 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.2 0.524 . . . . 0.0 111.775 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -44.72 95.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.485 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.965 HD21 ' HA ' ' C' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.36 97.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.967 ' HA ' HD21 ' A' ' 612' ' ' LEU . 3.3 ttm105 -60.35 -41.3 93.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -44.64 96.56 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.6 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.92 -41.28 74.84 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.997 0.427 . . . . 0.0 111.157 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.71 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -45.04 95.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.292 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.452 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.3 tm-20 -68.7 -32.88 73.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' C' ' 620' ' ' ARG . 2.4 mt -66.4 -36.3 82.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.845 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.5 OUTLIER -63.4 -44.13 95.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.2 p -65.28 -33.44 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.603 HG22 ' SD ' ' B' ' 626' ' ' MET . 71.2 mt -66.22 -45.11 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 111.617 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' B' ' 620' ' ' ARG . 5.3 mt -62.47 -42.66 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.231 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -49.18 77.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.3 -35.29 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.603 ' SD ' HG22 ' B' ' 622' ' ' ILE . 4.1 mtt -67.04 -37.05 83.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.568 ' HG3' ' HG2' ' A' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.49 69.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -51.6 22.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.457 HE21 ' HG3' ' B' ' 633' ' ' GLU . 28.9 tp60 -62.09 -36.4 81.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.84 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.619 ' HG2' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -66.91 -45.44 77.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.515 ' HE2' ' OE2' ' A' ' 633' ' ' GLU . 0.1 OUTLIER -67.47 -36.26 80.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -47.46 79.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.586 ' HB3' HG21 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -59.87 -44.28 94.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 0.0 111.879 -178.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 633' ' ' GLU . 86.9 mt -63.05 -41.55 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.124 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -60.25 -43.46 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.441 -179.52 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -40.0 87.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.943 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.705 HD11 HD12 ' C' ' 638' ' ' LEU . 2.5 mt -62.8 -35.22 79.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 637' ' ' LEU . 0.3 OUTLIER -65.44 -46.52 79.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.19 91.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.776 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.3 98.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.624 HD22 ' HE2' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -66.71 -34.33 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.736 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.5 -42.24 98.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.52 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.585 ' HG2' HD11 ' B' ' 647' ' ' ILE . 53.8 tt0 -65.35 -42.65 92.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -42.34 92.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.624 ' HE2' HD22 ' B' ' 641' ' ' LEU . 43.4 mttm -61.15 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -43.53 98.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.585 HD11 ' HG2' ' B' ' 643' ' ' GLU . 7.8 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 111.196 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -36.4 82.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.96 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -64.13 -33.32 75.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.679 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.643 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -62.4 -46.65 87.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.653 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -38.04 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.195 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.24 -43.07 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.6 -45.09 95.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.594 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.1 t -61.11 -35.09 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.264 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 2.4 t30 -65.1 -41.66 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.14 -49.65 73.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.761 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.625 HG13 HD13 ' C' ' 662' ' ' LEU . 4.9 tt -64.25 -38.88 83.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.634 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -63.31 -37.72 88.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.81 0.338 . . . . 0.0 111.046 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 0.3 OUTLIER -64.04 -35.71 81.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -76.01 -43.34 44.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 658' ' ' ILE . 0.7 OUTLIER -62.22 -35.84 80.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.58 -28.0 41.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' C' ' 609' ' ' VAL . 30.2 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . 0.403 ' HA ' HE21 ' C' ' 606' ' ' GLN . 1.4 mm-40 -66.06 -35.71 81.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.12 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.84 99.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.451 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.436 HG23 ' H ' ' C' ' 609' ' ' VAL . 0.5 OUTLIER -62.23 -32.13 53.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.647 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.72 -39.79 66.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 111.837 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.74 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.451 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.972 HD21 ' HA ' ' A' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.38 97.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.09 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.965 ' HA ' HD21 ' B' ' 612' ' ' LEU . 3.3 ttm105 -60.41 -41.34 93.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.55 96.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.583 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.97 -41.29 74.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.165 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.76 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.09 94.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.289 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.436 ' O ' HG13 ' C' ' 622' ' ' ILE . 1.3 tm-20 -68.49 -33.02 73.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.87 HD21 ' HG3' ' A' ' 620' ' ' ARG . 2.4 mt -66.4 -36.23 82.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.019 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.879 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.5 OUTLIER -63.46 -44.08 95.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.26 -33.43 75.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.611 HG22 ' SD ' ' C' ' 626' ' ' MET . 71.0 mt -66.36 -45.02 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.031 0.443 . . . . 0.0 111.618 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' C' ' 620' ' ' ARG . 5.3 mt -62.4 -42.76 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -49.2 77.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.258 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 20.6 m -61.28 -35.29 76.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.978 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.611 ' SD ' HG22 ' C' ' 622' ' ' ILE . 4.1 mtt -66.99 -37.09 83.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.559 ' HG3' ' HG2' ' B' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.48 69.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -51.54 23.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.465 HE21 ' HG3' ' C' ' 633' ' ' GLU . 28.7 tp60 -62.06 -36.47 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.796 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.618 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.93 -45.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.516 ' HE2' ' OE2' ' B' ' 633' ' ' GLU . 0.1 OUTLIER -67.48 -36.28 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.4 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.023 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -59.89 -44.28 94.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 111.853 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' B' ' 633' ' ' GLU . 87.1 mt -63.04 -41.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.136 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -60.2 -43.49 95.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.476 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -39.99 87.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.005 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.699 HD11 HD12 ' A' ' 638' ' ' LEU . 2.5 mt -62.75 -35.21 79.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.753 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.705 HD12 HD11 ' B' ' 637' ' ' LEU . 0.3 OUTLIER -65.54 -46.52 79.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.07 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -43.35 97.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.602 HD22 ' HE2' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -66.51 -34.41 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' C' ' 647' ' ' ILE . 53.9 tt0 -65.25 -42.7 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.26 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -42.45 92.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.602 ' HE2' HD22 ' C' ' 641' ' ' LEU . 43.5 mttm -61.15 -44.45 97.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.29 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' C' ' 643' ' ' GLU . 7.7 mt -66.86 -42.0 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.059 0.457 . . . . 0.0 111.208 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 648' ' ' ARG . 0.9 OUTLIER -66.52 -36.45 82.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.065 -179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.92 96.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.13 -33.3 75.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.646 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -62.39 -46.63 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.689 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.93 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.16 -43.15 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 111.33 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.63 -45.04 95.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.646 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.1 t -61.18 -35.02 62.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.027 0.442 . . . . 0.0 111.25 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' C' ' 660' ' ' LYS . 2.4 t30 -65.11 -41.71 94.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.19 -49.62 73.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.734 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.609 HG13 HD13 ' A' ' 662' ' ' LEU . 5.0 tt -64.21 -38.88 83.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.695 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -63.32 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' C' ' 656' ' ' ASN . 0.3 OUTLIER -64.1 -35.58 81.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -75.99 -43.42 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.625 HD13 HG13 ' B' ' 658' ' ' ILE . 0.7 OUTLIER -62.23 -35.82 80.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.548 179.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.54 -28.03 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -54.19 19.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 35.7 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.752 ' O ' HG22 ' A' ' 609' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.72 0.295 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 8.4 pt20 -64.45 -34.31 77.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.23 64.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.58 89.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.434 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 605' ' ' SER . 4.7 m -66.36 -41.73 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 5.8 tt0 -61.52 -38.39 87.2 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.763 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.558 ' HB2' HH22 ' B' ' 613' ' ' ARG . 10.2 mm-40 -67.66 -35.54 79.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.0 mt -70.23 -42.01 72.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.57 HH22 ' HB2' ' C' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.77 73.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.992 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 8.8 m -57.77 -44.13 85.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.448 ' HB3' HG11 ' B' ' 616' ' ' VAL . 34.5 mt-30 -63.05 -35.84 81.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.149 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.709 HG13 HD11 ' C' ' 619' ' ' LEU . 91.2 t -60.37 -45.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -37.66 88.25 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.605 ' O ' HG13 ' A' ' 622' ' ' ILE . 14.8 tp10 -65.35 -35.58 81.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.716 HD11 HG13 ' B' ' 616' ' ' VAL . 33.5 mt -66.19 -42.03 89.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 620' ' ' ARG . 3.5 ttm180 -62.17 -40.16 95.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.44 78.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.658 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.635 HG22 HG21 ' B' ' 623' ' ' ILE . 73.2 mt -61.45 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.664 HG21 HG22 ' C' ' 622' ' ' ILE . 4.9 mt -63.75 -41.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.198 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.56 98.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 47.0 m -66.14 -36.21 82.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -44.23 97.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.71 -39.95 91.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.87 -43.99 97.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.027 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.68 71.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.723 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.6 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -60.23 -40.79 91.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -37.52 82.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -45.39 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.967 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.547 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mt-10 -64.16 -46.3 84.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.457 . . . . 0.0 111.894 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.54 HG21 ' HB3' ' C' ' 633' ' ' GLU . 61.1 mt -57.39 -37.21 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.047 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.53 -40.7 93.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.455 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -38.77 89.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.421 HD12 HG23 ' B' ' 634' ' ' ILE . 3.5 mt -64.57 -42.86 95.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 635' ' ' LYS . 9.8 mt -61.91 -39.49 92.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -39.9 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.455 ' HG2' HD22 ' B' ' 641' ' ' LEU . 28.2 tt0 -66.63 -38.51 87.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.458 HD22 ' HG2' ' C' ' 640' ' ' GLU . 0.2 OUTLIER -65.99 -35.89 81.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.794 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . 0.582 ' HA ' ' HD3' ' A' ' 645' ' ' LYS . 0.5 OUTLIER -63.55 -39.87 95.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.512 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 646' ' ' LYS . 20.0 mm-40 -65.08 -42.44 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.251 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.567 ' HA ' HD12 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.16 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 642' ' ' ASP . 10.2 mtpt -65.62 -37.75 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mttt -63.08 -41.38 99.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 644' ' ' GLU . 4.9 mt -68.22 -43.78 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.084 0.468 . . . . 0.0 111.205 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -64.98 -33.74 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -44.83 85.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.26 -37.04 85.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 655' ' ' VAL . 27.9 tp -61.97 -40.2 94.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.671 ' HG2' HD22 ' C' ' 651' ' ' LEU . 3.3 mt-30 -59.08 -43.81 91.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.172 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.289 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.414 ' HG2' ' HE3' ' B' ' 659' ' ' LYS . 6.2 mt-10 -66.32 -40.99 90.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 651' ' ' LEU . 12.4 t -65.73 -45.83 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 111.224 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.533 ' O ' ' HG3' ' A' ' 660' ' ' LYS . 97.9 m-20 -55.35 -34.37 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -49.24 71.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.721 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.483 ' H ' HG13 ' A' ' 658' ' ' ILE . 5.2 mt -64.74 -36.42 77.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.597 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.423 ' HE3' ' HG2' ' C' ' 654' ' ' GLU . 4.3 ttmm -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 656' ' ' ASN . 43.3 mtpt -60.85 -43.41 98.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.83 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.374 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.509 ' CD2' HD21 ' B' ' 662' ' ' LEU . 2.5 mm? -64.29 -38.2 90.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.07 -10.42 56.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.749 ' O ' HG22 ' B' ' 609' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.732 0.301 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 8.4 pt20 -64.66 -34.22 77.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.97 -43.97 64.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.815 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.749 HG22 ' O ' ' B' ' 605' ' ' SER . 4.7 m -66.36 -41.8 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 5.8 tt0 -61.45 -38.4 87.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.104 0.478 . . . . 0.0 111.783 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.55 ' HB2' HH22 ' C' ' 613' ' ' ARG . 10.2 mm-40 -67.67 -35.49 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.399 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.549 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.0 mt -70.36 -41.96 72.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.834 0.35 . . . . 0.0 111.075 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.558 HH22 ' HB2' ' A' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.73 73.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.7 m -57.74 -44.1 85.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.587 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.463 ' HB3' HG11 ' C' ' 616' ' ' VAL . 34.5 mt-30 -63.12 -35.78 81.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.184 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.716 HG13 HD11 ' A' ' 619' ' ' LEU . 91.6 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -37.71 88.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.607 ' O ' HG13 ' B' ' 622' ' ' ILE . 14.8 tp10 -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.71 HD11 HG13 ' C' ' 616' ' ' VAL . 33.4 mt -66.14 -42.14 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 620' ' ' ARG . 3.6 ttm180 -62.08 -40.12 94.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.71 -36.47 78.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.653 HG22 HG21 ' C' ' 623' ' ' ILE . 72.9 mt -61.44 -48.49 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.635 HG21 HG22 ' A' ' 622' ' ' ILE . 4.9 mt -63.8 -41.77 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -43.59 98.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.275 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 46.8 m -66.15 -36.12 82.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.006 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -44.21 97.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.93 -39.87 90.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.044 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.88 -43.98 97.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -44.67 71.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.605 ' HG2' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -60.15 -40.76 90.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.029 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.54 82.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.28 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.986 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.535 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mt-10 -64.24 -46.26 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.087 0.47 . . . . 0.0 111.893 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' A' ' 633' ' ' GLU . 60.4 mt -57.31 -37.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.5 -40.75 93.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.42 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.84 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.435 HD12 HG23 ' C' ' 634' ' ' ILE . 3.5 mt -64.49 -42.91 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -61.87 -39.48 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -39.89 86.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.823 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.474 ' HG2' HD22 ' C' ' 641' ' ' LEU . 28.2 tt0 -66.66 -38.5 86.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.999 0.428 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.455 HD22 ' HG2' ' A' ' 640' ' ' GLU . 0.2 OUTLIER -65.92 -35.91 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.861 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . 0.581 ' HA ' ' HD3' ' B' ' 645' ' ' LYS . 0.5 OUTLIER -63.48 -39.94 95.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.506 -179.456 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.14 -42.43 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.554 ' HA ' HD12 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.15 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.83 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' B' ' 642' ' ' ASP . 10.2 mtpt -65.64 -37.78 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.726 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -62.99 -41.5 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 644' ' ' GLU . 5.0 mt -68.17 -43.78 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 111.234 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -65.01 -33.68 76.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.077 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -44.79 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.24 -37.06 86.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.721 ' O ' HG23 ' B' ' 655' ' ' VAL . 27.9 tp -62.0 -40.16 94.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.667 ' HG2' HD22 ' A' ' 651' ' ' LEU . 3.3 mt-30 -59.12 -43.84 91.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.084 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -36.13 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.276 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.43 ' HG2' ' HE3' ' C' ' 659' ' ' LYS . 6.3 mt-10 -66.22 -40.98 90.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 651' ' ' LEU . 12.8 t -65.91 -45.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' B' ' 660' ' ' LYS . 97.9 m-20 -55.26 -34.45 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -49.27 71.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.69 -36.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.688 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.414 ' HE3' ' HG2' ' A' ' 654' ' ' GLU . 4.3 ttmm -67.08 -36.56 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.795 0.331 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 656' ' ' ASN . 43.4 mtpt -60.8 -43.41 98.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.86 84.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.31 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.514 ' CD2' HD21 ' C' ' 662' ' ' LEU . 2.5 mm? -64.32 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -10.43 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.745 ' O ' HG22 ' C' ' 609' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 8.4 pt20 -64.52 -34.35 78.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.04 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.54 89.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.418 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.745 HG22 ' O ' ' C' ' 605' ' ' SER . 4.7 m -66.33 -41.75 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 5.9 tt0 -61.58 -38.36 87.25 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.199 0.523 . . . . 0.0 111.751 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.57 ' HB2' HH22 ' A' ' 613' ' ' ARG . 10.2 mm-40 -67.63 -35.53 79.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.0 mt -70.26 -41.97 72.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.125 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.55 HH22 ' HB2' ' B' ' 611' ' ' GLU . 6.4 mtt-85 -54.63 -44.83 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 8.6 m -57.64 -44.06 85.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.702 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.461 ' HB3' HG11 ' A' ' 616' ' ' VAL . 34.5 mt-30 -63.2 -35.79 81.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 111.116 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.71 HG13 HD11 ' B' ' 619' ' ' LEU . 89.7 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -37.62 88.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.385 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.598 ' O ' HG13 ' C' ' 622' ' ' ILE . 14.8 tp10 -65.43 -35.52 81.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.709 HD11 HG13 ' A' ' 616' ' ' VAL . 33.2 mt -66.17 -42.06 89.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' C' ' 620' ' ' ARG . 3.6 ttm180 -62.19 -40.12 95.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.5 78.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.664 HG22 HG21 ' A' ' 623' ' ' ILE . 73.2 mt -61.42 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.637 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.653 HG21 HG22 ' B' ' 622' ' ' ILE . 4.8 mt -63.66 -41.88 94.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.23 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -43.66 98.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.3 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 46.5 m -66.06 -36.22 82.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -44.2 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.84 -39.82 91.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.9 -43.99 97.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -44.66 71.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.739 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.605 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -60.16 -40.84 91.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -37.46 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -45.34 94.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.88 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.2 mt-10 -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.894 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' B' ' 633' ' ' GLU . 60.7 mt -57.34 -37.27 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.118 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.487 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.43 -40.76 93.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.454 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -38.8 89.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.942 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 634' ' ' ILE . 3.5 mt -64.54 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.79 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -61.89 -39.48 92.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -39.87 86.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.458 ' HG2' HD22 ' A' ' 641' ' ' LEU . 28.2 tt0 -66.65 -38.48 86.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.474 HD22 ' HG2' ' B' ' 640' ' ' GLU . 0.2 OUTLIER -65.98 -35.88 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.808 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . 0.594 ' HA ' ' HD3' ' C' ' 645' ' ' LYS . 0.5 OUTLIER -63.58 -39.84 95.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.49 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.416 ' HA ' ' HE3' ' C' ' 646' ' ' LYS . 20.0 mm-40 -65.12 -42.46 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.253 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -61.72 -38.15 86.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.869 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.594 ' HD3' ' HA ' ' C' ' 642' ' ' ASP . 10.2 mtpt -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' C' ' 643' ' ' GLU . 19.5 mttt -63.14 -41.3 99.26 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' C' ' 644' ' ' GLU . 5.0 mt -68.29 -43.76 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -65.04 -33.73 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -44.85 85.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 82.1 mtm-85 -65.25 -36.92 85.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.71 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.743 ' O ' HG23 ' C' ' 655' ' ' VAL . 28.0 tp -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.662 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.4 mt-30 -59.11 -43.86 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -36.18 83.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.423 ' HG2' ' HE3' ' A' ' 659' ' ' LYS . 6.2 mt-10 -66.34 -40.97 90.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.469 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.743 HG23 ' O ' ' C' ' 651' ' ' LEU . 12.8 t -65.86 -45.76 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.218 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' C' ' 660' ' ' LYS . 97.9 m-20 -55.34 -34.37 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -49.29 71.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.73 -36.32 77.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.717 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.43 ' HE3' ' HG2' ' B' ' 654' ' ' GLU . 4.3 ttmm -67.12 -36.52 82.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' C' ' 656' ' ' ASN . 43.3 mtpt -60.84 -43.46 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.92 84.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.406 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.514 HD21 ' CD2' ' B' ' 662' ' ' LEU . 2.5 mm? -64.2 -38.27 90.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.04 -10.44 56.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p -79.35 153.39 29.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.062 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.793 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.0 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.59 -42.91 81.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.9 98.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.79 89.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.471 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 605' ' ' SER . 27.5 t -62.67 -39.52 85.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.9 -41.57 97.66 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.126 0.489 . . . . 0.0 111.796 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.18 -40.34 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.433 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 616' ' ' VAL . 11.0 mt -60.71 -44.09 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.543 ' HA ' HD21 ' C' ' 612' ' ' LEU . 3.9 ttm105 -59.26 -39.5 83.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -51.73 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.44 -35.8 81.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 111.127 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 612' ' ' LEU . 55.6 t -66.32 -50.28 69.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.379 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.408 ' OE2' HD11 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.017 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' B' ' 623' ' ' ILE . 9.9 mt -70.57 -40.62 73.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.454 ' HG3' HD21 ' C' ' 619' ' ' LEU . 18.3 ttm-85 -63.83 -40.02 95.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.61 -42.29 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.659 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 626' ' ' MET . 11.9 mt -62.67 -43.14 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.592 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' C' ' 619' ' ' LEU . 13.8 mt -60.77 -43.6 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -43.65 98.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -38.57 80.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 43.0 mtt -65.93 -38.48 88.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.68 -45.15 91.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -66.96 -50.32 62.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -37.13 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -62.02 -42.55 99.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mm-40 -65.84 -41.06 92.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.999 0.428 . . . . 0.0 111.809 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.585 HG21 ' HB3' ' C' ' 633' ' ' GLU . 39.9 mt -65.57 -41.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.121 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.82 99.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.512 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.625 HD23 HD12 ' B' ' 641' ' ' LEU . 2.4 mt -64.63 -43.45 93.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 634' ' ' ILE . 0.2 OUTLIER -62.95 -44.64 95.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -45.49 94.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.408 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.4 -40.37 96.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.898 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.613 HD12 HD23 ' C' ' 637' ' ' LEU . 0.7 OUTLIER -62.92 -44.26 96.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.784 179.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' A' ' 645' ' ' LYS . 0.9 OUTLIER -60.02 -41.54 92.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.509 -179.322 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -40.08 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.216 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.492 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.5 OUTLIER -63.72 -38.46 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.907 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 641' ' ' LEU . 15.7 mttm -61.44 -42.54 98.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.745 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -60.45 -44.95 95.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -179.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.5 mt -68.47 -42.47 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 111.185 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.491 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.5 ttm105 -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.038 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -43.01 99.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 13.3 mtm180 -63.34 -33.45 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.668 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -65.09 -44.3 89.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.785 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.612 ' HA ' HD21 ' C' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.63 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.171 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.34 97.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.308 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.71 -42.64 97.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 651' ' ' LEU . 23.0 t -64.19 -37.17 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.13 -40.98 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.45 -47.92 74.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.829 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.601 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 0.6 OUTLIER -65.51 -31.94 56.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.603 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -68.62 -39.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.56 -47.06 85.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.921 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.53 75.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.671 HD23 HE21 ' A' ' 663' ' ' GLN . 1.1 tp -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . 0.671 HE21 HD23 ' A' ' 662' ' ' LEU . 97.7 mm-40 -82.23 -27.51 32.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.797 ' O ' HG23 ' B' ' 609' ' ' VAL . 22.9 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.74 -42.86 81.19 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.02 97.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.788 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.81 89.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.445 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.797 HG23 ' O ' ' B' ' 605' ' ' SER . 27.4 t -62.66 -39.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.97 -41.58 97.5 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.189 0.519 . . . . 0.0 111.788 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.13 -40.38 97.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.42 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.571 ' O ' HG23 ' B' ' 616' ' ' VAL . 11.0 mt -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.127 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.523 ' HA ' HD21 ' A' ' 612' ' ' LEU . 3.9 ttm105 -59.29 -39.42 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.041 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -51.8 67.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.646 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 111.15 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 612' ' ' LEU . 55.0 t -66.26 -50.27 69.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.79 95.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.335 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.418 ' HB3' HH22 ' C' ' 620' ' ' ARG . 0.2 OUTLIER -62.66 -31.06 71.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' C' ' 623' ' ' ILE . 9.9 mt -70.54 -40.54 73.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.45 ' HG3' HD21 ' A' ' 619' ' ' LEU . 18.2 ttm-85 -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.6 -42.33 91.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.647 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.562 ' O ' ' HG3' ' B' ' 626' ' ' MET . 12.0 mt -62.69 -43.09 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.598 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.456 ' CD1' HD22 ' A' ' 619' ' ' LEU . 13.8 mt -60.85 -43.52 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -43.73 98.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -38.53 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.043 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 42.9 mtt -65.85 -38.55 89.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.69 -45.16 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.88 -30.98 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.93 -50.32 62.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.4 ' HG2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.98 -37.11 85.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -61.98 -42.55 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.08 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.975 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.606 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mm-40 -65.8 -40.96 92.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.101 0.477 . . . . 0.0 111.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.598 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.1 mt -65.65 -41.93 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.112 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.85 99.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.392 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.48 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.625 HD23 HD12 ' C' ' 641' ' ' LEU . 2.4 mt -64.59 -43.54 93.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.447 HD12 ' O ' ' B' ' 634' ' ' ILE . 0.2 OUTLIER -62.92 -44.53 95.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -45.52 94.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.773 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -62.32 -40.43 96.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.012 0.434 . . . . 0.0 110.888 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.625 HD12 HD23 ' A' ' 637' ' ' LEU . 0.7 OUTLIER -62.98 -44.29 96.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.728 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' B' ' 645' ' ' LYS . 0.9 OUTLIER -59.94 -41.59 92.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -40.09 89.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.22 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.49 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.5 OUTLIER -63.76 -38.43 91.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.929 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 641' ' ' LEU . 15.7 mttm -61.47 -42.48 98.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.76 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -60.5 -44.94 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.489 HG12 HH21 ' B' ' 650' ' ' ARG . 3.6 mt -68.47 -42.49 83.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.962 0.41 . . . . 0.0 111.165 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 4.5 ttm105 -60.35 -42.61 96.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.023 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 13.3 mtm180 -63.3 -33.44 75.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.733 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -65.06 -44.37 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.762 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD21 ' A' ' 651' ' ' LEU . 3.1 tt0 -64.14 -40.67 96.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.166 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -41.44 97.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.306 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.68 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 651' ' ' LEU . 23.1 t -64.27 -37.24 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.126 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.1 -40.93 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.759 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.601 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -31.95 56.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.732 -179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.601 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -68.55 -39.64 80.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.111 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.71 -46.97 85.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.51 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.65 HD23 HE21 ' B' ' 663' ' ' GLN . 1.1 tp -65.92 -34.96 79.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . 0.65 HE21 HD23 ' B' ' 662' ' ' LEU . 97.8 mm-40 -82.25 -27.51 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.791 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.72 -42.83 81.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.04 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.83 89.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.492 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.791 HG23 ' O ' ' C' ' 605' ' ' SER . 27.0 t -62.61 -39.58 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.583 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.195 0.522 . . . . 0.0 111.812 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.06 -40.36 97.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.441 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.573 ' O ' HG23 ' C' ' 616' ' ' VAL . 11.0 mt -60.85 -43.93 97.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 111.161 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.529 ' HA ' HD21 ' B' ' 612' ' ' LEU . 3.9 ttm105 -59.31 -39.49 83.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.023 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.87 67.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.567 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 111.086 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.573 HG23 ' O ' ' C' ' 612' ' ' LEU . 55.3 t -66.24 -50.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -44.92 95.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.376 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' A' ' 620' ' ' ARG . 0.2 OUTLIER -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.999 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 623' ' ' ILE . 9.9 mt -70.49 -40.53 73.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' B' ' 619' ' ' LEU . 18.2 ttm-85 -64.04 -39.87 95.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.63 -42.31 91.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.629 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' C' ' 626' ' ' MET . 11.9 mt -62.69 -43.08 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.63 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.46 ' CD1' HD22 ' B' ' 619' ' ' LEU . 13.7 mt -60.88 -43.51 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.57 98.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.264 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -38.53 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 42.9 mtt -65.93 -38.39 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.7 -45.2 91.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.031 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.99 -30.87 69.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -67.04 -50.27 62.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.4 ' HB3' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -65.84 -37.19 85.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -61.96 -42.58 99.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.06 99.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.023 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.585 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.1 mm-40 -65.68 -41.09 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.0 mt -65.66 -41.85 91.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.125 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.5 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.613 HD23 HD12 ' A' ' 641' ' ' LEU . 2.4 mt -64.67 -43.44 93.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.443 HD12 ' O ' ' C' ' 634' ' ' ILE . 0.2 OUTLIER -62.88 -44.65 95.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -45.46 94.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.769 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.412 ' HB3' HD13 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.37 -40.44 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.982 0.42 . . . . 0.0 110.865 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.625 HD12 HD23 ' B' ' 637' ' ' LEU . 0.7 OUTLIER -62.88 -44.29 96.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.822 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . 0.511 ' HA ' ' HD2' ' C' ' 645' ' ' LYS . 0.9 OUTLIER -59.97 -41.58 92.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.538 -179.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -40.11 89.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.254 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.491 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.5 OUTLIER -63.75 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' C' ' 641' ' ' LEU . 15.6 mttm -61.43 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.699 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -60.52 -44.95 95.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.478 HG12 HH21 ' C' ' 650' ' ' ARG . 3.5 mt -68.47 -42.52 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 111.216 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 4.5 ttm105 -60.33 -42.55 95.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.063 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 13.3 mtm180 -63.32 -33.46 75.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.661 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.694 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -65.16 -44.28 89.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.755 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.63 ' HA ' HD21 ' B' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.61 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.186 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.43 97.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.67 -42.6 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.694 HG23 ' O ' ' C' ' 651' ' ' LEU . 23.0 t -64.21 -37.14 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.209 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.08 -41.02 99.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.42 -48.04 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.603 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -32.07 56.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.634 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.601 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -68.51 -39.69 81.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.022 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.67 -46.99 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.5 75.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.359 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.656 HD23 HE21 ' C' ' 663' ' ' GLN . 1.1 tp -65.98 -34.96 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . 0.656 HE21 HD23 ' C' ' 662' ' ' LEU . 97.8 mm-40 -82.18 -27.48 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -52.57 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.732 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.429 ' O ' HG23 ' A' ' 609' ' ' VAL . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 606' ' ' GLN . 0.5 OUTLIER -62.31 -34.08 75.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.64 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.27 90.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 605' ' ' SER . 38.8 t -62.34 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.82 -44.99 91.01 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.154 0.502 . . . . 0.0 111.738 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -42.48 94.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.41 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.885 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.1 mt -63.54 -37.42 87.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.109 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.883 ' HA ' HD21 ' C' ' 612' ' ' LEU . 6.0 ttm105 -64.29 -36.15 83.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.024 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -41.83 84.71 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.697 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.01 -36.26 79.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.977 0.418 . . . . 0.0 111.164 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 612' ' ' LEU . 71.8 t -67.99 -47.29 79.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -45.03 91.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.312 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.0 OUTLIER -65.49 -41.94 92.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.739 HD21 ' HG3' ' B' ' 620' ' ' ARG . 3.2 mt -60.92 -40.89 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.749 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.43 -44.62 89.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . 0.635 ' O ' HG23 ' A' ' 625' ' ' THR . 0.1 OUTLIER -67.02 -33.1 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.595 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.604 HG22 ' SD ' ' A' ' 626' ' ' MET . 83.6 mt -70.75 -36.29 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.563 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.66 HD13 HD22 ' C' ' 619' ' ' LEU . 5.2 mt -71.0 -45.28 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -42.27 95.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 621' ' ' SER . 76.7 p -67.49 -40.79 85.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.967 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.604 ' SD ' HG22 ' A' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -63.43 -40.19 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -48.96 74.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -39.28 89.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.547 ' NE2' ' HB3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -68.5 -43.6 76.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.516 ' HE3' HE21 ' C' ' 630' ' ' GLN . 1.1 mmtp -62.69 -37.29 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -42.59 96.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.039 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.455 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.4 mt-10 -64.7 -42.92 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.104 0.478 . . . . 0.0 111.867 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.583 ' O ' HD12 ' A' ' 638' ' ' LEU . 59.3 mt -66.43 -44.29 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.084 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -56.87 -46.84 81.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.398 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.01 -42.89 95.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.992 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.3 mt -59.09 -40.13 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.714 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 634' ' ' ILE . 0.6 OUTLIER -62.72 -46.43 88.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -31.61 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.797 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.48 -47.58 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -36.05 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.813 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.531 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -64.41 -43.77 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -64.1 -39.19 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.27 -37.44 74.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.1 83.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 644' ' ' GLU . 7.1 mt -66.31 -36.28 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 111.258 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.09 -43.68 70.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.83 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -57.68 -36.55 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -54.47 -47.73 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.581 ' HA ' HD21 ' C' ' 651' ' ' LEU . 1.8 tt0 -59.76 -36.14 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 4.0 mtm -63.29 -40.25 96.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.237 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.52 -41.0 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 651' ' ' LEU . 2.9 t -63.11 -43.13 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.001 0.429 . . . . 0.0 111.193 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.47 76.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -51.2 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.44 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 1.2 tt -67.0 -31.44 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.446 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.38 -44.36 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.88 -42.58 89.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.95 82.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.333 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.21 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.5 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . 0.481 HE21 ' HA ' ' A' ' 663' ' ' GLN . 3.0 mm-40 -84.06 -25.1 30.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 609' ' ' VAL . 5.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.77 0.319 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' B' ' 606' ' ' GLN . 0.5 OUTLIER -62.25 -34.08 75.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.51 89.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.36 90.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.427 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 605' ' ' SER . 38.9 t -62.27 -44.96 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.76 -45.03 90.69 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.134 0.492 . . . . 0.0 111.774 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -42.38 94.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.1 mt -63.56 -37.49 87.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.885 ' HA ' HD21 ' A' ' 612' ' ' LEU . 6.0 ttm105 -64.15 -36.31 83.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -41.95 85.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.07 -36.29 79.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.111 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 612' ' ' LEU . 72.5 t -67.91 -47.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -45.07 91.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.361 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.45 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.0 OUTLIER -65.36 -42.02 93.21 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.733 HD21 ' HG3' ' C' ' 620' ' ' ARG . 3.2 mt -60.89 -40.97 95.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.739 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.4 -44.56 89.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . 0.63 ' O ' HG23 ' B' ' 625' ' ' THR . 0.1 OUTLIER -67.11 -33.05 74.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.554 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.596 HG22 ' SD ' ' B' ' 626' ' ' MET . 82.8 mt -70.68 -36.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.633 HD13 HD22 ' A' ' 619' ' ' LEU . 5.2 mt -70.98 -45.24 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.22 95.28 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.248 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . 0.63 HG23 ' O ' ' B' ' 621' ' ' SER . 76.5 p -67.4 -40.89 85.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.596 ' SD ' HG22 ' B' ' 622' ' ' ILE . 4.7 mtt -62.53 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.402 ' HG3' ' HG2' ' A' ' 626' ' ' MET . 4.1 tmtm? -63.42 -40.3 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -48.96 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -39.42 90.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.554 ' NE2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.44 -43.52 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 -179.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.514 ' HE3' HE21 ' A' ' 630' ' ' GLN . 1.1 mmtp -62.77 -37.28 86.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.63 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.995 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.455 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.4 mt-10 -64.71 -42.98 94.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.006 0.431 . . . . 0.0 111.84 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.582 ' O ' HD12 ' B' ' 638' ' ' LEU . 59.4 mt -66.37 -44.3 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.083 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -56.81 -46.9 81.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.06 -42.88 95.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.3 mt -58.95 -40.19 83.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.767 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.582 HD12 ' O ' ' B' ' 634' ' ' ILE . 0.6 OUTLIER -62.67 -46.55 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -31.64 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.47 -47.57 63.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -36.1 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.814 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -43.86 93.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.544 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.38 -43.79 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.254 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -64.13 -39.18 93.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.24 -37.48 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.76 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -45.19 83.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' B' ' 644' ' ' GLU . 7.2 mt -66.27 -36.3 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 121.031 0.443 . . . . 0.0 111.179 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 648' ' ' ARG . 3.5 tmm_? -70.11 -43.75 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.73 -52.94 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.63 -36.59 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.628 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -54.48 -47.77 72.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.743 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.581 ' HA ' HD21 ' A' ' 651' ' ' LEU . 1.8 tt0 -59.72 -36.12 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.189 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.9 mtm -63.34 -40.2 96.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.45 -41.08 85.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 651' ' ' LEU . 2.9 t -63.12 -43.12 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 111.138 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.42 75.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -51.12 61.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.439 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 1.2 tt -67.13 -31.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.654 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.44 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.37 -44.41 83.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.085 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.89 -42.56 89.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.88 82.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.355 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.18 72.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . 0.483 ' HA ' HE21 ' B' ' 663' ' ' GLN . 3.0 mm-40 -84.09 -25.06 30.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' C' ' 609' ' ' VAL . 5.1 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . 0.495 ' HA ' HE21 ' C' ' 606' ' ' GLN . 0.5 OUTLIER -62.27 -34.08 75.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.58 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.3 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.462 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.431 HG23 ' O ' ' C' ' 605' ' ' SER . 38.7 t -62.3 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.68 -45.09 90.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.148 0.499 . . . . 0.0 111.767 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -42.51 94.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.43 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.883 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.1 mt -63.47 -37.54 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.857 ' HA ' HD21 ' B' ' 612' ' ' LEU . 6.1 ttm105 -64.22 -36.24 83.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -41.91 85.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.634 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.02 -36.25 79.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.019 0.438 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.489 HG23 ' O ' ' C' ' 612' ' ' LEU . 71.6 t -68.05 -47.3 79.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.04 91.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.26 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.443 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.9 OUTLIER -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 620' ' ' ARG . 3.2 mt -60.86 -40.92 94.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.733 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.4 -44.62 89.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . 0.635 ' O ' HG23 ' C' ' 625' ' ' THR . 0.1 OUTLIER -67.07 -33.05 74.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.62 179.534 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' C' ' 626' ' ' MET . 83.2 mt -70.7 -36.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.628 HD13 HD22 ' B' ' 619' ' ' LEU . 5.2 mt -71.02 -45.29 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.179 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -42.25 95.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . 0.635 HG23 ' O ' ' C' ' 621' ' ' SER . 76.1 p -67.41 -40.86 85.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.007 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.606 ' SD ' HG22 ' C' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -63.53 -40.18 96.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -48.91 75.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.031 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -39.36 90.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.554 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -68.46 -43.52 76.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.511 ' HE3' HE21 ' B' ' 630' ' ' GLN . 1.1 mmtp -62.7 -37.33 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -42.62 95.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.443 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.4 mt-10 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.068 0.461 . . . . 0.0 111.886 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.594 ' O ' HD12 ' C' ' 638' ' ' LEU . 59.5 mt -66.33 -44.27 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -56.81 -46.83 81.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.443 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.22 -42.8 95.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.3 mt -59.09 -40.04 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.594 HD12 ' O ' ' C' ' 634' ' ' ILE . 0.6 OUTLIER -62.78 -46.48 87.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.119 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.51 -47.52 63.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -36.13 79.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.79 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.86 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.46 -43.75 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.186 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.425 ' HA ' HD12 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -64.16 -39.19 93.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.22 -37.46 74.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -45.12 83.12 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' C' ' 644' ' ' GLU . 7.1 mt -66.36 -36.19 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.211 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.6 tmm_? -70.17 -43.74 70.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.024 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.407 HD23 ' HE2' ' C' ' 653' ' ' MET . 1.5 tt -58.76 -52.99 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.747 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.719 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.759 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -54.47 -47.76 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.711 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' B' ' 651' ' ' LEU . 1.8 tt0 -59.79 -36.07 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.209 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . 0.407 ' HE2' HD23 ' C' ' 649' ' ' LEU . 4.0 mtm -63.32 -40.25 96.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.41 -41.14 85.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.586 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.759 HG23 ' O ' ' C' ' 651' ' ' LEU . 2.9 t -63.01 -43.16 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 111.203 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.34 -33.45 76.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -51.07 61.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.741 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.446 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 1.2 tt -67.13 -31.38 53.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.439 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.32 -44.43 83.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.81 -42.64 89.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.9 82.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.339 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.7 -31.17 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . 0.485 HE21 ' HA ' ' C' ' 663' ' ' GLN . 3.0 mm-40 -83.98 -25.14 30.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t -75.94 -48.48 21.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.603 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 14.7 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.051 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 609' ' ' VAL . 29.7 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -36.99 73.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.17 99.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.91 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.417 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 605' ' ' SER . 2.4 t -68.38 -33.18 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -48.78 80.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.14 0.495 . . . . 0.0 111.734 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.64 -43.84 97.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.433 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.627 HD22 HG21 ' B' ' 616' ' ' VAL . 7.7 mt -59.71 -39.22 83.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.618 HH11 ' HB2' ' A' ' 613' ' ' ARG . 8.8 ttm105 -59.12 -45.55 90.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -47.95 83.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.675 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.605 HE21 HG12 ' B' ' 616' ' ' VAL . 14.1 tt0 -69.19 -36.42 77.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.997 0.427 . . . . 0.0 111.122 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.615 HG21 HD22 ' C' ' 612' ' ' LEU . 36.1 t -65.35 -46.68 89.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.162 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -42.52 95.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.356 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.014 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 623' ' ' ILE . 1.9 mt -55.49 -41.88 73.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.616 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.82 -46.21 88.18 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.87 -32.5 74.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.59 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 626' ' ' MET . 43.4 mt -68.29 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.048 0.452 . . . . 0.0 111.672 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 619' ' ' LEU . 4.3 mt -63.3 -38.79 83.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.95 -43.2 88.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.48 -45.77 74.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.007 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.413 ' HG3' ' HB3' ' C' ' 626' ' ' MET . 3.2 tmtm? -64.02 -40.09 95.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.21 -40.0 93.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.37 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.771 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -65.27 -42.84 92.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.468 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -64.05 -40.92 97.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . 0.466 ' NH2' ' HB3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.37 98.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.959 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' B' ' 634' ' ' ILE . 1.3 mt-10 -63.78 -43.03 97.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.873 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.716 HG21 ' HB3' ' C' ' 633' ' ' GLU . 27.0 mt -65.64 -43.15 93.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.115 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.1 -44.45 79.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -35.66 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.632 HD12 HG23 ' B' ' 634' ' ' ILE . 3.0 mt -65.24 -43.87 90.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.9 -45.25 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.103 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.57 -39.74 92.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.93 -43.52 92.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.11 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.762 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.35 -34.15 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -70.01 -48.25 58.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.211 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.498 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -35.44 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.887 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.5 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 21.2 mttm -61.26 -38.78 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.25 87.01 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.469 ' H ' HG13 ' A' ' 647' ' ' ILE . 1.8 mt -68.12 -41.45 84.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.465 HH21 ' HG2' ' C' ' 644' ' ' GLU . 3.4 tmm_? -56.3 -49.97 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.0 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.17 95.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.49 -35.78 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.37 -44.96 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.536 ' HA ' HD21 ' C' ' 651' ' ' LEU . 5.6 tt0 -59.35 -38.68 81.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.168 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.01 -40.34 94.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.336 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.554 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.6 t -62.62 -39.13 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.98 0.419 . . . . 0.0 111.189 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -62.87 -33.61 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.71 -50.97 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 658' ' ' ILE . 0.7 OUTLIER -64.09 -30.03 48.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.658 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -43.99 87.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -40.6 95.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.67 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.304 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -29.11 66.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -28.98 24.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 609' ' ' VAL . 29.7 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -37.16 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.16 98.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.89 92.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 605' ' ' SER . 2.4 t -68.34 -33.25 59.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.657 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.02 -48.87 79.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.174 0.512 . . . . 0.0 111.791 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.604 HD22 HG21 ' C' ' 616' ' ' VAL . 7.8 mt -59.69 -39.24 83.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.11 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.626 ' HB2' HH11 ' B' ' 613' ' ' ARG . 8.9 ttm105 -59.09 -45.59 90.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -47.85 83.62 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.621 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.59 HE21 HG12 ' C' ' 616' ' ' VAL . 14.0 tt0 -69.33 -36.32 76.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 111.15 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.627 HG21 HD22 ' A' ' 612' ' ' LEU . 36.5 t -65.37 -46.6 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -42.48 94.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.14 -40.22 95.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.657 ' O ' HD12 ' B' ' 623' ' ' ILE . 1.8 mt -55.51 -41.84 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.629 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.91 -46.15 88.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' B' ' 626' ' ' MET . 43.4 mt -68.38 -47.98 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.655 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.657 HD12 ' O ' ' B' ' 619' ' ' LEU . 4.3 mt -63.31 -38.86 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.21 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.88 -43.17 89.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -45.69 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.99 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.56 98.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' A' ' 626' ' ' MET . 3.2 tmtm? -64.2 -39.95 95.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.41 78.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.453 ' HG3' ' HE3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -65.31 -42.69 92.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.973 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.465 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.16 -40.86 97.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.452 ' NH2' ' HB3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.978 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.711 ' HB3' HG21 ' C' ' 634' ' ' ILE . 1.3 mt-10 -63.74 -43.07 97.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.108 0.48 . . . . 0.0 111.877 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' A' ' 633' ' ' GLU . 27.2 mt -65.58 -43.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.102 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.02 -44.46 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.401 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -35.63 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.645 HD12 HG23 ' C' ' 634' ' ' ILE . 3.0 mt -65.25 -43.84 90.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.763 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.81 -45.27 94.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.168 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.65 -39.73 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.95 -43.6 92.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.74 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.36 -34.16 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.05 -48.19 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.245 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.497 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.42 79.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.896 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 21.1 mttm -61.27 -38.84 88.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.36 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.489 ' H ' HG13 ' B' ' 647' ' ' ILE . 1.8 mt -67.99 -41.59 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.101 0.477 . . . . 0.0 111.162 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.483 HH21 ' HG2' ' A' ' 644' ' ' GLU . 3.4 tmm_? -56.32 -49.91 72.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.24 95.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -64.39 -35.83 82.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.726 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.729 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.554 ' HA ' HD21 ' A' ' 651' ' ' LEU . 5.6 tt0 -59.41 -38.68 81.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.152 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.93 -40.47 95.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.301 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -46.64 88.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.544 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.6 t -62.58 -39.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.86 -33.59 75.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.57 -51.04 55.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.7 OUTLIER -64.14 -30.02 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.659 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -44.05 87.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -40.7 95.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.62 83.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.17 66.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -29.05 24.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.993 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.544 ' O ' HG23 ' C' ' 609' ' ' VAL . 29.6 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.749 0.309 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -37.09 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.13 98.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.91 92.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.398 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 605' ' ' SER . 2.4 t -68.39 -33.24 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.583 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.08 -48.78 80.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.176 0.513 . . . . 0.0 111.782 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.419 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 616' ' ' VAL . 7.7 mt -59.81 -39.09 83.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.631 HH11 ' HB2' ' C' ' 613' ' ' ARG . 8.8 ttm105 -59.21 -45.57 90.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -47.94 83.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.652 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.591 HE21 HG12 ' A' ' 616' ' ' VAL . 14.1 tt0 -69.29 -36.31 76.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.998 0.427 . . . . 0.0 111.146 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.604 HG21 HD22 ' B' ' 612' ' ' LEU . 36.0 t -65.34 -46.68 89.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -42.55 95.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.31 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.21 95.68 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.012 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.631 ' O ' HD12 ' C' ' 623' ' ' ILE . 1.9 mt -55.48 -41.79 73.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.067 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.642 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.88 -46.27 88.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.82 -32.44 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.571 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' C' ' 626' ' ' MET . 42.8 mt -68.46 -47.93 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.631 HD12 ' O ' ' C' ' 619' ' ' LEU . 4.3 mt -63.28 -38.88 83.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -65.83 -43.24 89.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -45.83 74.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 17.3 mtt -60.99 -42.56 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.969 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.423 ' HG3' ' HB3' ' B' ' 626' ' ' MET . 3.2 tmtm? -64.15 -39.98 95.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.31 -39.99 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.04 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -42.42 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.468 ' HG3' ' HE3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -65.32 -42.79 92.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.468 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -40.88 97.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . 0.468 ' NH2' ' HB3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.38 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.969 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.716 ' HB3' HG21 ' A' ' 634' ' ' ILE . 1.3 mt-10 -63.81 -42.99 97.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 111.874 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' B' ' 633' ' ' GLU . 27.2 mt -65.6 -43.23 94.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.141 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.09 -44.42 79.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.427 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -35.63 81.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.637 HD12 HG23 ' A' ' 634' ' ' ILE . 3.0 mt -65.28 -43.81 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.782 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.87 -45.29 94.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.2 p -61.52 -39.8 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.93 -43.59 92.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.036 0.446 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.754 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.558 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.08 -48.23 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.201 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.5 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.52 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.781 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.497 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 21.1 mttm -61.19 -38.82 87.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -47.29 86.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.439 ' HB ' ' HD3' ' A' ' 648' ' ' ARG . 1.8 mt -68.11 -41.51 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 121.068 0.461 . . . . 0.0 111.159 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.473 HH21 ' HG2' ' B' ' 644' ' ' GLU . 3.4 tmm_? -56.24 -49.99 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.075 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -40.26 95.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.695 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.42 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.563 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.3 -44.88 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.549 ' HA ' HD21 ' B' ' 651' ' ' LEU . 5.6 tt0 -59.44 -38.66 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.96 -40.46 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.31 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -46.65 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.548 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.563 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.6 t -62.54 -39.23 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.82 -33.66 75.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.55 -51.12 54.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.728 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.411 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.7 OUTLIER -64.01 -30.03 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.7 -179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.63 -44.06 87.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.62 95.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.57 83.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.21 66.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.544 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -29.02 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t -67.72 -32.65 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 6.4 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.049 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -42.02 79.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.99 91.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 605' ' ' SER . 62.4 t -62.86 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.3 -38.29 79.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.182 0.515 . . . . 0.0 111.783 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.31 -42.86 92.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 616' ' ' VAL . 9.9 tp -67.46 -39.62 85.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.425 ' HD2' HD13 ' C' ' 612' ' ' LEU . 2.8 tpt180 -62.43 -43.6 98.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.1 p -63.53 -41.91 98.46 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.642 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -37.9 78.69 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 111.13 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 612' ' ' LEU . 88.8 t -67.02 -50.15 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -48.11 83.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -37.86 86.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 623' ' ' ILE . 53.2 tp -63.39 -40.19 96.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.664 ' HD2' HD13 ' C' ' 619' ' ' LEU . 0.7 OUTLIER -61.59 -35.35 77.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -39.46 94.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 619' ' ' LEU . 11.6 mt -70.09 -37.45 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.635 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.1 mp -61.66 -48.87 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.246 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.67 -34.05 75.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 3.1 m -72.26 -43.47 64.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.009 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.532 ' HG2' ' NE2' ' B' ' 630' ' ' GLN . 5.6 ttm -63.18 -35.48 80.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 1.0 OUTLIER -65.75 -51.02 62.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -28.0 65.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 625' ' ' THR . 0.0 OUTLIER -68.73 -43.15 76.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.796 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.536 ' NE2' ' HG2' ' C' ' 626' ' ' MET . 3.4 pt20 -70.04 -33.94 72.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -65.8 -38.29 88.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -72.19 -39.82 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.966 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.52 -50.75 70.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.943 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.95 -35.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.114 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 4.2 ttpp -59.48 -50.84 72.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.405 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.26 -32.5 73.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.994 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.53 88.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.763 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.32 -40.39 93.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -39.01 92.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.619 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 25.0 tt0 -68.99 -35.74 77.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 645' ' ' LYS . 0.8 OUTLIER -68.73 -38.72 80.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.803 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.77 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.486 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.43 72.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.238 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -67.43 -33.57 75.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.892 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.627 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 7.0 mttt -64.43 -45.84 85.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.767 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -65.96 -47.7 73.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.553 ' HA ' ' HD3' ' A' ' 650' ' ' ARG . 15.1 tt -65.21 -37.88 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.127 0.489 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.25 -43.44 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.637 ' HA ' ' HG3' ' A' ' 652' ' ' GLN . 6.0 tt -62.11 -39.12 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.553 ' HD3' ' HA ' ' A' ' 647' ' ' ILE . 1.0 OUTLIER -59.93 -40.95 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.758 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.6 HD22 ' HG2' ' B' ' 652' ' ' GLN . 21.9 tp -65.62 -37.09 85.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.637 ' HG3' ' HA ' ' A' ' 649' ' ' LEU . 2.0 mt-30 -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.157 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -41.16 91.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.315 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.487 ' O ' HG13 ' A' ' 658' ' ' ILE . 3.0 tp10 -67.52 -40.38 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.518 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' ' 658' ' ' ILE . 53.7 t -59.04 -46.22 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.14 -35.58 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.722 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.53 ' CG2' HD13 ' B' ' 662' ' ' LEU . 3.2 mt -66.25 -36.17 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.649 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.4 ' HG2' HG12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -66.89 -38.77 86.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.831 0.348 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.62 -53.47 54.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.305 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.536 HD13 ' CG2' ' C' ' 658' ' ' ILE . 0.4 OUTLIER -64.47 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -32.1 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' B' ' 609' ' ' VAL . 23.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.91 79.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.97 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.862 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.19 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 605' ' ' SER . 62.5 t -62.95 -48.95 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.19 -38.43 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.186 0.517 . . . . 0.0 111.778 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.28 -42.83 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.441 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 616' ' ' VAL . 9.9 tp -67.55 -39.63 84.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.787 0.327 . . . . 0.0 111.091 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.413 ' HD2' HD13 ' A' ' 612' ' ' LEU . 2.9 tpt180 -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 13.2 p -63.52 -41.88 98.49 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.697 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -37.77 78.32 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.983 0.421 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 612' ' ' LEU . 88.7 t -67.09 -50.11 66.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -48.08 83.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.294 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -37.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.978 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.754 ' O ' HD12 ' B' ' 623' ' ' ILE . 53.2 tp -63.46 -40.18 96.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.647 ' HD2' HD13 ' A' ' 619' ' ' LEU . 0.7 OUTLIER -61.66 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -39.31 94.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' B' ' 619' ' ' LEU . 11.6 mt -70.14 -37.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.616 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.754 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.1 mp -61.69 -48.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.7 -33.95 74.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.256 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 3.1 m -72.22 -43.59 64.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.009 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.532 ' HG2' ' NE2' ' C' ' 630' ' ' GLN . 5.6 ttm -63.13 -35.47 80.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 1.0 OUTLIER -65.82 -50.93 62.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -28.03 65.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.069 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' B' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.1 76.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 3.4 pt20 -70.15 -33.96 72.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -65.73 -38.29 88.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -72.25 -39.72 68.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.969 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.66 -50.69 70.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 111.879 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.99 -35.87 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 4.3 ttpp -59.41 -50.86 72.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.27 -32.52 73.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.49 88.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.3 -40.42 93.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.05 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.793 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.605 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 25.0 tt0 -68.93 -35.71 77.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' B' ' 645' ' ' LYS . 0.8 OUTLIER -68.8 -38.76 80.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.758 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -29.71 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -69.56 -43.47 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.872 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.619 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 6.9 mttt -64.43 -45.78 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.0 -47.72 73.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.176 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.566 ' HA ' ' HD3' ' B' ' 650' ' ' ARG . 15.2 tt -65.24 -37.91 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.092 0.472 . . . . 0.0 111.144 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.15 -43.51 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.655 ' HA ' ' HG3' ' B' ' 652' ' ' GLN . 5.9 tt -62.06 -39.04 91.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.77 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.566 ' HD3' ' HA ' ' B' ' 647' ' ' ILE . 1.0 OUTLIER -60.04 -40.95 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' C' ' 652' ' ' GLN . 22.1 tp -65.68 -37.1 85.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.655 ' HG3' ' HA ' ' B' ' 649' ' ' LEU . 2.0 mt-30 -58.25 -44.53 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -41.22 91.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 658' ' ' ILE . 3.0 tp10 -67.38 -40.51 85.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.468 ' HA ' HD12 ' B' ' 658' ' ' ILE . 54.3 t -58.92 -46.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.21 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.12 -35.61 77.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.22 -42.56 98.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.529 ' CG2' HD13 ' C' ' 662' ' ' LEU . 3.2 mt -66.16 -36.2 76.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.591 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -38.69 86.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.852 0.358 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.64 -53.55 52.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.08 79.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.39 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.53 HD13 ' CG2' ' A' ' 658' ' ' ILE . 0.4 OUTLIER -64.38 -33.89 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.78 -32.13 31.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.543 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.8 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.764 0.316 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.89 79.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.99 91.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.16 91.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.398 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.543 HG23 ' O ' ' C' ' 605' ' ' SER . 62.6 t -62.87 -48.96 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.31 -38.27 79.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.201 0.524 . . . . 0.0 111.789 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.32 -42.9 92.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.452 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.707 ' O ' HG23 ' C' ' 616' ' ' VAL . 9.9 tp -67.52 -39.56 85.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' B' ' 612' ' ' LEU . 2.8 tpt180 -62.47 -43.57 98.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.039 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 13.2 p -63.56 -41.89 98.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.643 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -37.8 78.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.707 HG23 ' O ' ' C' ' 612' ' ' LEU . 89.1 t -67.07 -50.08 67.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.4 OUTLIER -60.87 -47.96 83.97 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.369 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -37.78 86.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.75 ' O ' HD12 ' C' ' 623' ' ' ILE . 53.3 tp -63.46 -40.11 96.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.662 ' HD2' HD13 ' B' ' 619' ' ' LEU . 0.7 OUTLIER -61.65 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -39.32 94.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.57 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' C' ' 619' ' ' LEU . 11.5 mt -70.16 -37.4 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.062 0.458 . . . . 0.0 111.643 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.75 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.1 mp -61.68 -48.94 86.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.65 -33.99 74.91 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 3.1 m -72.26 -43.61 64.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.536 ' HG2' ' NE2' ' A' ' 630' ' ' GLN . 5.6 ttm -63.01 -35.54 80.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 1.0 OUTLIER -65.77 -50.89 63.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . 0.401 ' HB3' HH21 ' C' ' 632' ' ' ARG . 0.5 OUTLIER -70.17 -27.92 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.104 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' C' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.18 76.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.787 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.532 ' NE2' ' HG2' ' B' ' 626' ' ' MET . 3.4 pt20 -70.04 -34.05 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -65.72 -38.26 88.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . 0.401 HH21 ' HB3' ' C' ' 628' ' ' ASP . 29.5 mtt180 -72.21 -39.79 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.59 -50.71 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 0.0 111.904 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.96 -35.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.111 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 4.3 ttpp -59.39 -50.78 72.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.477 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.39 -32.48 73.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -44.57 88.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.17 -40.44 94.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -39.01 92.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.627 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 25.0 tt0 -68.98 -35.77 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' C' ' 645' ' ' LYS . 0.8 OUTLIER -68.71 -38.71 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.833 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.527 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.45 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.209 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.483 ' HA ' HG22 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -67.41 -33.62 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.85 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.605 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 7.0 mttt -64.47 -45.79 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.63 73.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.557 ' HA ' ' HD3' ' C' ' 650' ' ' ARG . 15.1 tt -65.19 -37.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.104 0.478 . . . . 0.0 111.294 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.31 -43.43 81.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.64 ' HA ' ' HG3' ' C' ' 652' ' ' GLN . 6.0 tt -62.13 -39.02 91.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.557 ' HD3' ' HA ' ' C' ' 647' ' ' ILE . 1.0 OUTLIER -60.05 -40.91 91.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.706 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.604 HD22 ' HG2' ' A' ' 652' ' ' GLN . 22.1 tp -65.63 -37.12 85.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.64 ' HG3' ' HA ' ' C' ' 649' ' ' LEU . 2.0 mt-30 -58.28 -44.45 88.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.193 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -41.16 91.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.261 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.49 ' O ' HG13 ' C' ' 658' ' ' ILE . 3.0 tp10 -67.43 -40.47 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' C' ' 658' ' ' ILE . 54.0 t -58.99 -46.23 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.08 -35.6 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.35 -42.52 98.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.536 ' CG2' HD13 ' A' ' 662' ' ' LEU . 3.1 mt -66.13 -36.21 76.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.693 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.76 86.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.55 -53.48 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.94 78.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.295 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.529 HD13 ' CG2' ' B' ' 658' ' ' ILE . 0.4 OUTLIER -64.46 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -32.17 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 31.2 m -63.72 -41.9 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.442 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.732 0.301 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -24.43 59.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.54 98.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.95 88.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.47 -33.87 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.8 -43.54 98.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.153 0.501 . . . . 0.0 111.74 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -43.63 89.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.388 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.977 HD21 ' HA ' ' B' ' 613' ' ' ARG . 12.5 mt -59.59 -43.02 93.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.084 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.95 ' HA ' HD21 ' C' ' 612' ' ' LEU . 25.5 ttm180 -57.84 -35.76 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.56 81.37 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.653 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -29.96 65.03 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.765 HG21 HD22 ' C' ' 612' ' ' LEU . 73.8 t -66.77 -46.18 86.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.44 -45.66 89.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.513 ' O ' ' HB ' ' A' ' 622' ' ' ILE . 13.6 mt -63.95 -48.32 76.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.594 ' HA ' HD12 ' A' ' 623' ' ' ILE . 2.7 ttm180 -57.94 -51.2 70.6 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 65.2 p -61.17 -23.84 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.513 ' HB ' ' O ' ' A' ' 619' ' ' LEU . 2.1 mt -68.35 -50.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.043 0.449 . . . . 0.0 111.629 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -65.6 -36.52 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.25 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.13 -44.72 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.63 -43.32 94.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.004 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.578 ' SD ' HG22 ' B' ' 623' ' ' ILE . 39.5 mtt -67.69 -30.68 70.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.517 ' HA ' HE22 ' C' ' 630' ' ' GLN . 4.4 tmtm? -69.16 -42.74 75.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.12 -38.55 85.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.006 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.24 -44.14 92.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.795 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.528 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.2 OUTLIER -69.71 -35.7 75.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.003 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -44.9 93.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -43.83 97.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.533 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.4 mm-40 -61.51 -44.03 97.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 111.874 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.546 HG21 ' HB3' ' C' ' 633' ' ' GLU . 90.4 mt -64.33 -38.6 82.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.096 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.72 ' HA ' ' HE3' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.45 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.3 -38.12 89.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.616 HD23 HD12 ' B' ' 641' ' ' LEU . 0.4 OUTLIER -64.15 -42.83 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.14 -46.75 85.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.67 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.8 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.728 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -66.43 -40.29 89.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.9 OUTLIER -66.36 -38.19 87.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.75 179.612 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.93 -43.68 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.571 ' O ' HD12 ' A' ' 647' ' ' ILE . 31.6 tt0 -58.56 -47.21 85.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.265 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -59.24 -40.36 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.446 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 5.8 mttt -61.93 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mtmm -59.4 -47.06 86.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 643' ' ' GLU . 3.6 mt -67.28 -34.02 66.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 111.185 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.51 ' NH2' HD13 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -63.33 -42.56 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.059 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 646' ' ' LYS . 11.1 mt -57.53 -46.88 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.495 HH21 HG13 ' A' ' 647' ' ' ILE . 44.9 mtm-85 -60.11 -38.82 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.715 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.774 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.51 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 1.5 tt0 -61.4 -38.68 87.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.93 -37.38 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 111.324 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 658' ' ' ILE . 0.6 OUTLIER -63.97 -41.13 97.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.531 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 651' ' ' LEU . 1.5 t -71.13 -39.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.028 0.442 . . . . 0.0 111.217 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -65.98 -37.69 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.12 -47.17 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' B' ' 659' ' ' LYS . 8.7 tt -68.95 -31.04 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.701 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.591 ' HA ' HD12 ' C' ' 658' ' ' ILE . 10.2 tptt -64.19 -47.11 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.23 -42.95 92.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.16 79.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.354 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.565 HD22 HG13 ' C' ' 658' ' ' ILE . 0.8 OUTLIER -63.02 -42.61 99.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.567 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -20.97 37.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.96 -24.45 59.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.51 98.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.02 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.367 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.42 -33.88 66.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.611 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.68 -43.6 98.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.208 0.528 . . . . 0.0 111.788 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -43.48 89.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.523 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.965 HD21 ' HA ' ' C' ' 613' ' ' ARG . 12.5 mt -59.66 -43.04 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.977 ' HA ' HD21 ' A' ' 612' ' ' LEU . 25.4 ttm180 -57.88 -35.74 71.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.97 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -42.47 81.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.649 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.75 -30.02 65.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.759 HG21 HD22 ' A' ' 612' ' ' LEU . 74.1 t -66.77 -46.3 85.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -45.61 90.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.35 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -29.76 70.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' B' ' 622' ' ' ILE . 13.6 mt -63.97 -48.35 76.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' B' ' 623' ' ' ILE . 2.7 ttm180 -57.85 -51.35 69.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 65.3 p -61.11 -23.77 65.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.671 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' B' ' 619' ' ' LEU . 2.1 mt -68.35 -50.67 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.594 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.66 -36.49 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.224 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.11 -44.77 91.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.042 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.566 ' SD ' HG22 ' C' ' 623' ' ' ILE . 39.5 mtt -67.62 -30.7 70.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.528 ' HA ' HE22 ' A' ' 630' ' ' GLN . 4.4 tmtm? -69.13 -42.71 75.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.15 -38.55 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -64.33 -44.03 92.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.749 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.521 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -69.76 -35.72 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.921 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -44.84 93.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -43.86 97.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.017 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.537 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.4 mm-40 -61.5 -44.06 97.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.047 0.451 . . . . 0.0 111.873 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.544 HG23 HD12 ' A' ' 637' ' ' LEU . 90.4 mt -64.27 -38.67 83.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.72 ' HA ' ' HE3' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -62.13 -46.47 88.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.924 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.599 HD23 HD12 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.14 -42.93 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.714 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.1 -46.75 85.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 50.8 p -63.59 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.718 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.081 0.467 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.9 OUTLIER -66.26 -38.32 87.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.766 179.539 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.9 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.515 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.582 ' O ' HD12 ' B' ' 647' ' ' ILE . 31.9 tt0 -58.65 -47.21 85.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.207 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.433 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -59.16 -40.39 85.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.906 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.449 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 5.8 mttt -61.97 -42.95 99.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 19.6 mtmm -59.31 -47.06 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.242 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.582 HD12 ' O ' ' B' ' 643' ' ' GLU . 3.6 mt -67.38 -33.87 65.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.063 0.459 . . . . 0.0 111.169 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.502 ' NH2' HD13 ' A' ' 647' ' ' ILE . 0.8 OUTLIER -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' B' ' 646' ' ' LYS . 11.2 mt -57.45 -46.95 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.488 HH21 HG13 ' B' ' 647' ' ' ILE . 44.8 mtm-85 -60.07 -38.9 84.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.769 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.2 -45.1 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.492 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.5 tt0 -61.44 -38.65 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.134 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.98 -37.34 84.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.288 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.448 ' O ' HG22 ' B' ' 658' ' ' ILE . 0.6 OUTLIER -63.95 -41.21 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.549 179.564 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 651' ' ' LEU . 1.5 t -70.99 -39.1 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.174 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -65.97 -37.67 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.14 -47.04 69.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' C' ' 659' ' ' LYS . 8.7 tt -69.02 -31.04 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.658 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 658' ' ' ILE . 10.2 tptt -64.23 -47.06 81.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.26 -42.85 92.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.11 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.389 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.554 HD22 HG13 ' A' ' 658' ' ' ILE . 0.8 OUTLIER -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -21.04 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.85 -24.53 59.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.48 98.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.95 88.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.45 -33.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.64 -43.67 98.22 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.101 0.477 . . . . 0.0 111.753 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -43.6 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.426 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.95 HD21 ' HA ' ' A' ' 613' ' ' ARG . 12.5 mt -59.69 -42.99 94.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.965 ' HA ' HD21 ' B' ' 612' ' ' LEU . 25.5 ttm180 -57.85 -35.76 71.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.024 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.54 81.38 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.646 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.76 -30.01 65.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.142 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 612' ' ' LEU . 73.9 t -66.7 -46.31 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.184 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.25 -45.74 90.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.3 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -29.75 70.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.499 ' O ' ' HB ' ' C' ' 622' ' ' ILE . 13.6 mt -63.98 -48.34 76.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.008 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.602 ' HA ' HD12 ' C' ' 623' ' ' ILE . 2.8 ttm180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 65.1 p -61.15 -23.85 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' C' ' 619' ' ' LEU . 2.2 mt -68.26 -50.68 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.655 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.58 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.249 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.15 -44.71 91.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 8.8 p -64.6 -43.32 94.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.037 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.573 ' SD ' HG22 ' A' ' 623' ' ' ILE . 39.5 mtt -67.69 -30.62 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.521 ' HA ' HE22 ' B' ' 630' ' ' GLN . 4.4 tmtm? -69.22 -42.69 75.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.1 -38.55 85.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -64.31 -44.08 92.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.79 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.517 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -69.74 -35.72 75.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -44.8 93.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.011 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.546 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.4 mm-40 -61.47 -44.06 97.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.901 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.546 HG23 HD12 ' B' ' 637' ' ' LEU . 90.5 mt -64.3 -38.58 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.101 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.722 ' HA ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -62.12 -46.52 88.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -179.548 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.32 -38.06 89.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.627 HD23 HD12 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.2 -42.82 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.16 -46.67 86.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.151 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.72 -32.19 73.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.737 ' HB3' HD13 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.39 89.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.016 0.436 . . . . 0.0 110.839 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.9 OUTLIER -66.27 -38.24 87.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.86 -43.69 98.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.513 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.575 ' O ' HD12 ' C' ' 647' ' ' ILE . 31.7 tt0 -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.446 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -59.21 -40.43 85.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.932 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 5.8 mttt -61.94 -42.96 99.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.717 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 19.6 mtmm -59.21 -47.18 86.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.575 HD12 ' O ' ' C' ' 643' ' ' GLU . 3.6 mt -67.21 -33.96 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.101 0.476 . . . . 0.0 111.248 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.506 ' NH2' HD13 ' B' ' 647' ' ' ILE . 0.8 OUTLIER -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' C' ' 646' ' ' LYS . 11.3 mt -57.58 -46.89 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.691 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.491 HH21 HG13 ' C' ' 647' ' ' ILE . 44.7 mtm-85 -60.02 -38.87 83.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.763 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.19 -45.11 95.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.505 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.5 tt0 -61.38 -38.66 87.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.197 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -67.03 -37.33 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.219 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.446 ' O ' HG22 ' C' ' 658' ' ' ILE . 0.6 OUTLIER -64.02 -41.07 97.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.532 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.763 HG23 ' O ' ' C' ' 651' ' ' LEU . 1.5 t -71.13 -39.07 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 111.166 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.02 -37.64 86.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.16 -47.14 68.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.724 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 659' ' ' LYS . 8.7 tt -68.93 -31.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.652 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.589 ' HA ' HD12 ' B' ' 658' ' ' ILE . 10.2 tptt -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.852 0.358 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.24 -42.82 91.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.27 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.305 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.568 HD22 HG13 ' B' ' 658' ' ' ILE . 0.8 OUTLIER -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.606 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -21.0 37.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.3 m -71.19 -41.4 70.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.873 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.728 0.299 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.42 -25.1 54.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.07 86.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.95 -35.07 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.436 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.83 -42.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.0 -44.21 97.2 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 111.799 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -44.38 86.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.485 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.89 HD21 ' HA ' ' B' ' 613' ' ' ARG . 8.5 mt -64.57 -39.3 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.873 ' HA ' HD21 ' C' ' 612' ' ' LEU . 24.9 ttm180 -59.09 -41.39 87.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -43.36 97.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.619 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.784 ' O ' HD12 ' A' ' 619' ' ' LEU . 5.1 tt0 -69.77 -36.22 75.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.051 0.453 . . . . 0.0 111.208 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 612' ' ' LEU . 84.8 t -64.27 -50.03 78.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.92 93.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.31 -38.32 84.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.017 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 615' ' ' GLN . 0.2 OUTLIER -58.11 -46.98 84.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.028 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.522 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.77 79.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -36.19 75.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.55 -42.57 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.556 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 620' ' ' ARG . 9.5 mt -64.77 -36.62 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.197 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.53 -52.78 59.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.272 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.04 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.711 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 27.7 mtt -56.55 -41.6 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.691 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 2.2 tmtm? -65.8 -40.74 92.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -64.89 -39.4 93.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.426 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.2 OUTLIER -63.99 -43.55 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.423 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -61.16 -43.54 98.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -41.08 98.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.992 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.5 mt-10 -66.05 -41.35 90.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 0.0 111.853 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' C' ' 633' ' ' GLU . 16.2 mt -62.05 -48.06 90.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.139 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.16 -44.71 83.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.459 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -60.32 -44.68 95.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.004 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.511 HD11 ' HG ' ' B' ' 638' ' ' LEU . 0.3 OUTLIER -60.1 -42.26 94.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' C' ' 637' ' ' LEU . 10.5 mt -61.71 -47.82 83.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.076 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.28 -38.31 79.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -43.25 85.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.006 0.431 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.489 ' N ' HD11 ' B' ' 641' ' ' LEU . 4.5 tt -61.08 -41.87 97.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.786 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -35.35 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.474 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 647' ' ' ILE . 20.2 tt0 -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.199 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.409 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -33.99 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.526 ' O ' ' HG ' ' A' ' 649' ' ' LEU . 9.1 mttt -65.44 -37.15 86.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 649' ' ' LEU . 8.7 mtmm -65.95 -51.04 62.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 643' ' ' GLU . 3.6 mt -60.88 -43.16 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 648' ' ' ARG . 3.3 tmm_? -61.47 -34.83 76.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.054 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 645' ' ' LYS . 47.6 mt -61.69 -45.01 95.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.53 -33.99 77.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.667 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.29 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.22 -36.96 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 12.1 mtm -61.67 -44.73 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.271 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.42 -44.2 95.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.6 t -61.67 -43.54 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -35.35 80.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.79 -48.65 68.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.665 HG13 HD13 ' B' ' 662' ' ' LEU . 10.7 tt -67.19 -30.11 48.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.646 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' C' ' 658' ' ' ILE . 19.8 tptt -70.69 -38.7 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.59 81.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.22 81.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.667 HD13 HG13 ' C' ' 658' ' ' ILE . 2.6 tt -59.73 -35.48 74.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.21 -23.06 47.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.033 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -25.05 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.12 86.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.96 -35.06 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.85 -42.16 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.01 -44.12 97.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.12 0.485 . . . . 0.0 111.842 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -44.46 86.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.468 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.886 HD21 ' HA ' ' C' ' 613' ' ' ARG . 8.5 mt -64.51 -39.35 93.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.89 ' HA ' HD21 ' A' ' 612' ' ' LEU . 24.8 ttm180 -59.07 -41.41 87.91 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -43.38 97.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.643 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.761 ' O ' HD12 ' B' ' 619' ' ' LEU . 5.1 tt0 -69.68 -36.24 75.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.081 0.467 . . . . 0.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.683 HG23 ' O ' ' B' ' 612' ' ' LEU . 85.0 t -64.25 -50.0 78.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.9 92.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.32 -38.4 84.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.761 HD12 ' O ' ' B' ' 615' ' ' GLN . 0.2 OUTLIER -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.525 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.7 79.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -36.1 75.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.6 -42.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.585 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' B' ' 620' ' ' ARG . 9.6 mt -64.82 -36.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.197 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.67 -52.63 59.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.91 81.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.978 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.704 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 27.7 mtt -56.7 -41.57 77.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.711 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 2.2 tmtm? -65.83 -40.74 92.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.82 -39.45 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -47.68 78.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.429 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -64.02 -43.53 95.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.76 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.426 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -61.1 -43.63 98.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -41.1 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.5 mt-10 -65.97 -41.32 91.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 111.906 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 633' ' ' GLU . 16.1 mt -62.16 -48.07 90.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.025 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.17 -44.65 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.451 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -60.38 -44.66 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' C' ' 638' ' ' LEU . 0.3 OUTLIER -60.05 -42.26 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 637' ' ' LEU . 10.4 mt -61.73 -47.78 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 13.1 p -59.31 -38.24 79.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.775 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -43.24 85.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 641' ' ' LEU . 4.5 tt -61.2 -41.76 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.755 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.47 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.44 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.515 ' O ' HD12 ' B' ' 647' ' ' ILE . 20.0 tt0 -64.32 -43.81 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.249 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.417 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.78 -34.17 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' B' ' 649' ' ' LEU . 9.1 mttt -65.27 -37.15 86.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.492 ' HA ' HD12 ' B' ' 649' ' ' LEU . 8.7 mtmm -66.04 -50.94 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.515 HD12 ' O ' ' B' ' 643' ' ' GLU . 3.6 mt -60.97 -43.15 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 111.196 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -61.43 -34.87 76.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 645' ' ' LYS . 47.4 mt -61.61 -45.07 95.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.45 -34.06 77.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.673 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.27 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.08 -36.99 84.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.178 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.63 -44.76 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.262 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.2 95.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 651' ' ' LEU . 42.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -35.37 80.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.76 68.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.66 HG13 HD13 ' C' ' 662' ' ' LEU . 10.8 tt -67.1 -30.16 48.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.678 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 658' ' ' ILE . 19.8 tptt -70.65 -38.66 73.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -46.59 81.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.29 81.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.665 HD13 HG13 ' A' ' 658' ' ' ILE . 2.7 tt -59.72 -35.43 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.26 -23.08 47.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.736 0.303 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -25.15 54.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.18 86.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.13 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.467 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.77 -42.05 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.13 -44.15 97.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.176 0.513 . . . . 0.0 111.733 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -44.42 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' A' ' 613' ' ' ARG . 8.4 mt -64.62 -39.35 93.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.021 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.886 ' HA ' HD21 ' B' ' 612' ' ' LEU . 24.8 ttm180 -59.06 -41.37 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -43.28 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.784 ' O ' HD12 ' C' ' 619' ' ' LEU . 5.1 tt0 -69.8 -36.22 75.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.042 0.448 . . . . 0.0 111.191 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.694 HG23 ' O ' ' C' ' 612' ' ' LEU . 84.8 t -64.32 -50.05 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -38.94 92.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.24 -38.47 85.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.784 HD12 ' O ' ' C' ' 615' ' ' GLN . 0.2 OUTLIER -58.07 -47.03 84.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.526 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -56.34 -43.8 79.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.12 75.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.56 -42.6 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 111.609 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 9.6 mt -64.82 -36.6 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.201 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.57 -52.74 59.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -47.98 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.691 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 27.7 mtt -56.61 -41.62 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.704 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 2.2 tmtm? -65.76 -40.84 92.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.056 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.76 -39.42 93.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -47.57 78.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.425 HE22 ' HG2' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -64.07 -43.52 95.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.419 ' HE3' ' HG3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -61.11 -43.55 98.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -41.08 97.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.022 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.512 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.5 mt-10 -66.09 -41.27 90.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.065 0.46 . . . . 0.0 111.904 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' B' ' 633' ' ' GLU . 16.2 mt -62.09 -48.1 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.15 -44.68 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.4 -44.65 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' A' ' 638' ' ' LEU . 0.3 OUTLIER -60.03 -42.27 94.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 179.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' B' ' 637' ' ' LEU . 10.5 mt -61.73 -47.77 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.32 -38.29 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.763 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -43.3 85.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.488 HD11 ' N ' ' B' ' 641' ' ' LEU . 4.5 tt -61.12 -41.8 97.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.778 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.4 80.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.502 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.516 ' O ' HD12 ' C' ' 647' ' ' ILE . 20.1 tt0 -64.34 -43.87 93.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.153 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.415 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.75 -34.19 76.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.89 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.528 ' O ' ' HG ' ' C' ' 649' ' ' LEU . 9.1 mttt -65.3 -37.15 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.488 ' HA ' HD12 ' C' ' 649' ' ' LEU . 8.7 mtmm -66.01 -50.94 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.246 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.516 HD12 ' O ' ' C' ' 643' ' ' GLU . 3.6 mt -60.92 -43.21 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.072 0.463 . . . . 0.0 111.215 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.3 tmm_? -61.44 -34.8 76.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' C' ' 645' ' ' LYS . 47.4 mt -61.69 -44.99 95.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.46 -34.06 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.66 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.25 -43.13 99.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.17 -36.98 84.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.55 -44.79 96.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.337 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.16 95.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.66 HG23 ' O ' ' C' ' 651' ' ' LEU . 42.5 t -61.67 -43.51 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.28 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -35.37 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.81 68.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.667 HG13 HD13 ' A' ' 662' ' ' LEU . 10.8 tt -67.03 -30.17 48.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.695 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' B' ' 658' ' ' ILE . 19.8 tptt -70.66 -38.67 73.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.68 81.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.21 -46.19 81.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.326 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.66 HD13 HG13 ' B' ' 658' ' ' ILE . 2.6 tt -59.84 -35.37 74.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.522 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.27 -23.1 47.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.6 m -74.02 -36.79 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.102 -0.952 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -33.04 73.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.035 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.96 88.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.04 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.419 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.39 -37.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.71 -51.14 70.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.739 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -45.99 74.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.501 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' B' ' 613' ' ' ARG . 4.5 mt -61.38 -38.27 86.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.097 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.776 ' HA ' HD21 ' C' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.89 85.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.04 88.13 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.646 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.42 -35.64 79.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.999 0.428 . . . . 0.0 111.17 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.732 HG21 HD22 ' C' ' 612' ' ' LEU . 93.3 t -66.53 -47.96 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.6 -41.59 98.3 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.34 -28.48 66.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.856 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -63.56 -40.67 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.623 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.4 OUTLIER -63.21 -38.14 89.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.89 72.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 619' ' ' LEU . 59.0 mt -63.13 -48.18 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.591 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.612 HD11 HD23 ' C' ' 619' ' ' LEU . 2.3 mt -64.0 -37.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.248 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.82 -44.93 88.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 39.1 p -68.76 -48.24 64.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.981 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.426 ' SD ' HG22 ' B' ' 623' ' ' ILE . 3.0 mtt -57.67 -39.72 77.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.92 -36.27 81.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.068 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.18 -43.39 70.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.808 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -33.26 74.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.81 97.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.977 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.508 ' HB3' HG21 ' B' ' 634' ' ' ILE . 5.6 mm-40 -63.79 -47.4 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.044 0.449 . . . . 0.0 111.89 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' C' ' 633' ' ' GLU . 9.9 mt -57.21 -47.1 84.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.113 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.402 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.26 -35.47 79.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.521 HD21 ' HG ' ' B' ' 638' ' ' LEU . 2.2 mt -68.99 -42.39 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.744 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.519 ' HG ' HD21 ' C' ' 637' ' ' LEU . 1.2 mt -61.28 -42.6 98.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.2 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.59 -37.5 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -46.49 88.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -61.97 -40.68 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.739 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' A' ' 646' ' ' LYS . 0.1 OUTLIER -59.23 -45.56 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.49 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 647' ' ' ILE . 1.3 tt0 -62.53 -37.98 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.216 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.95 92.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.52 -35.47 81.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.574 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 10.2 mtmm -63.06 -57.78 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.275 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 643' ' ' GLU . 2.9 mp -62.29 -34.59 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 0.0 111.157 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -44.0 85.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.033 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.88 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.713 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.86 -29.39 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.699 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.639 HD22 HD22 ' B' ' 651' ' ' LEU . 0.3 OUTLIER -64.47 -48.67 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -37.74 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mtt -64.93 -36.66 85.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.265 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.416 ' HB3' HG11 ' B' ' 655' ' ' VAL . 7.0 tt0 -66.29 -47.36 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.511 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.5 t -59.83 -38.62 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.203 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.54 -49.33 73.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.727 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' B' ' 659' ' ' LYS . 16.3 tt -67.23 -32.55 58.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.662 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' C' ' 658' ' ' ILE . 2.6 tptt -60.79 -49.6 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.861 0.362 . . . . 0.0 111.088 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.54 -42.35 78.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.43 75.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.387 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.485 HD12 HD12 ' B' ' 662' ' ' LEU . 0.8 OUTLIER -69.98 -35.87 74.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -86.8 -16.69 35.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.735 0.302 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.97 72.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.97 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.16 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.417 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.32 -37.66 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.569 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.58 -51.18 70.49 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.183 0.516 . . . . 0.0 111.771 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -45.88 75.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.485 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' C' ' 613' ' ' ARG . 4.5 mt -61.4 -38.27 86.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.796 0.331 . . . . 0.0 111.087 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.773 ' HA ' HD21 ' A' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.83 85.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -44.96 88.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.617 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.46 -35.57 79.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.718 HG21 HD22 ' A' ' 612' ' ' LEU . 93.8 t -66.57 -47.91 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.74 -41.5 98.02 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.331 -179.736 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.28 -28.52 66.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -63.67 -40.57 97.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.597 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.4 OUTLIER -63.2 -38.16 90.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.93 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' B' ' 619' ' ' LEU . 59.1 mt -63.1 -48.17 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.584 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.599 HD11 HD23 ' A' ' 619' ' ' LEU . 2.3 mt -64.02 -37.83 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.159 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.79 -45.0 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 39.0 p -68.7 -48.32 64.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.968 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.424 ' SD ' HG22 ' C' ' 623' ' ' ILE . 3.0 mtt -57.53 -39.84 77.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' B' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.33 77.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.98 -36.24 81.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.078 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.16 -43.34 71.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -33.29 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.8 97.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.998 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' C' ' 634' ' ' ILE . 5.5 mm-40 -63.83 -47.32 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 633' ' ' GLU . 9.8 mt -57.25 -47.08 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.138 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.402 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.18 -35.49 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' C' ' 638' ' ' LEU . 2.2 mt -69.01 -42.34 76.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.521 ' HG ' HD21 ' A' ' 637' ' ' LEU . 1.2 mt -61.27 -42.71 99.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.107 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.4 -37.62 87.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -46.44 89.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.03 -40.68 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.766 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' B' ' 646' ' ' LYS . 0.1 OUTLIER -59.22 -45.55 90.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.507 -179.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.591 ' O ' HD12 ' B' ' 647' ' ' ILE . 1.3 tt0 -62.47 -38.04 88.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.264 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -39.0 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -64.58 -35.38 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.7 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 10.2 mtmm -63.25 -57.68 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.591 HD12 ' O ' ' B' ' 643' ' ' GLU . 2.9 mp -62.25 -34.67 65.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.969 0.414 . . . . 0.0 111.156 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -43.98 85.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.89 91.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -63.87 -29.43 70.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.639 HD22 HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.38 -48.71 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.756 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -37.84 76.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.18 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.4 mtt -64.86 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.335 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.404 ' HB3' HG11 ' C' ' 655' ' ' VAL . 7.0 tt0 -66.35 -47.31 73.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.493 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.6 t -59.91 -38.54 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -69.95 -37.39 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.56 -49.19 74.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' C' ' 659' ' ' LYS . 16.3 tt -67.36 -32.48 57.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 658' ' ' ILE . 2.6 tptt -60.85 -49.57 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.55 -42.32 78.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.956 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.54 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.377 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.485 HD12 HD12 ' A' ' 662' ' ' LEU . 0.8 OUTLIER -70.05 -35.85 74.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -86.87 -16.58 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.695 0.284 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -33.0 73.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.97 88.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.16 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.471 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.36 -37.56 80.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.549 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.66 -51.12 70.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 111.738 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -45.97 75.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.484 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' A' ' 613' ' ' ARG . 4.5 mt -61.35 -38.35 86.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.089 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.799 ' HA ' HD21 ' B' ' 612' ' ' LEU . 20.1 ttm180 -59.48 -39.88 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.031 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -45.05 87.97 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.619 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.41 -35.63 79.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.03 0.443 . . . . 0.0 111.171 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.719 HG21 HD22 ' B' ' 612' ' ' LEU . 93.2 t -66.61 -47.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -41.56 98.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.36 -28.44 66.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.872 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -63.62 -40.69 97.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.615 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.4 OUTLIER -63.08 -38.26 90.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -31.93 72.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' C' ' 619' ' ' LEU . 59.0 mt -63.16 -48.11 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.615 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.612 HD11 HD23 ' B' ' 619' ' ' LEU . 2.3 mt -64.0 -37.81 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.22 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -64.8 -44.92 88.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.257 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 38.8 p -68.77 -48.29 64.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.423 ' SD ' HG22 ' C' ' 622' ' ' ILE . 3.0 mtt -57.57 -39.8 77.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.0 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.9 -36.27 81.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.19 -43.36 70.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -33.26 74.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -42.92 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.013 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.506 ' HB3' HG21 ' A' ' 634' ' ' ILE . 5.5 mm-40 -63.91 -47.27 81.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 0.0 111.872 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' B' ' 633' ' ' GLU . 9.9 mt -57.31 -47.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.07 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -43.47 98.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.467 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.21 -35.46 78.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.519 HD21 ' HG ' ' A' ' 638' ' ' LEU . 2.2 mt -69.05 -42.4 76.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.711 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.504 ' HG ' HD21 ' B' ' 637' ' ' LEU . 1.2 mt -61.26 -42.67 99.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.163 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.47 -37.51 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -46.51 88.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.558 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.02 -40.53 96.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.772 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' C' ' 646' ' ' LYS . 0.1 OUTLIER -59.38 -45.5 91.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.476 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.59 ' O ' HD12 ' C' ' 647' ' ' ILE . 1.3 tt0 -62.56 -37.97 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.205 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.96 92.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.49 -35.47 81.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.779 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 10.2 mtmm -63.26 -57.62 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.59 HD12 ' O ' ' C' ' 643' ' ' GLU . 2.9 mp -62.26 -34.71 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -43.96 85.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.83 91.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.95 -29.35 70.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.46 -48.68 74.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.758 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -37.76 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.5 mtt -64.9 -36.7 85.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.404 ' HB3' HG11 ' A' ' 655' ' ' VAL . 7.0 tt0 -66.26 -47.39 73.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.507 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.6 t -59.86 -38.56 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.193 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -69.83 -37.48 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.48 -49.26 74.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 659' ' ' LYS . 16.3 tt -67.34 -32.5 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.531 ' HA ' HD12 ' B' ' 658' ' ' ILE . 2.6 tptt -60.88 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.48 -42.47 78.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.44 75.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.337 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.482 HD12 HD12 ' B' ' 662' ' ' LEU . 0.8 OUTLIER -69.97 -35.97 74.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -86.81 -16.67 35.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -51.53 24.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.992 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.67 -35.65 81.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.66 -34.73 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.73 81.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.428 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.86 -31.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -48.2 80.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.143 0.497 . . . . 0.0 111.743 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -60.18 -39.51 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' B' ' 613' ' ' ARG . 3.0 mt -64.34 -37.52 87.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.081 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.651 ' HA ' HD21 ' C' ' 612' ' ' LEU . 10.8 ttm180 -64.4 -37.04 86.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.997 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.52 69.03 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.7 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.438 ' HG2' ' CG1' ' B' ' 616' ' ' VAL . 3.0 tt0 -63.73 -38.38 90.88 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.189 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 612' ' ' LEU . 75.8 t -66.66 -45.22 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -49.98 75.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.366 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.638 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.1 mt-10 -65.48 -29.26 69.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.551 ' HB3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -61.07 -50.2 74.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.01 76.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.986 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.605 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 618' ' ' GLU . 96.8 mt -62.43 -49.55 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.631 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.529 HG22 ' SD ' ' C' ' 626' ' ' MET . 5.4 mt -62.52 -35.3 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.41 -45.73 75.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.0 p -68.32 -43.09 78.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.57 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 54.3 mtt -65.3 -36.21 83.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.571 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.19 99.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.64 -34.21 76.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.05 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.55 -46.75 75.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.452 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.0 OUTLIER -66.56 -36.6 83.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.585 ' HA ' HD12 ' A' ' 634' ' ' ILE . 2.5 mmpt? -65.42 -41.53 93.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.06 93.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.992 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.596 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.3 mm-40 -62.46 -39.69 94.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 111.823 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.597 HG21 ' HB3' ' C' ' 633' ' ' GLU . 32.4 mt -62.66 -40.57 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.058 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.489 ' HE3' ' N ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -61.58 -41.43 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 -179.494 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.46 -38.19 90.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.005 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' B' ' 638' ' ' LEU . 14.2 mt -67.95 -41.84 81.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.577 ' HG ' HD21 ' C' ' 637' ' ' LEU . 4.3 mt -63.1 -41.95 99.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.91 93.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -40.37 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.023 0.44 . . . . 0.0 110.908 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.503 ' HA ' HD21 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -66.78 -42.92 85.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.807 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -40.15 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.414 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.12 -32.46 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.275 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.682 ' HG2' ' HD3' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.74 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.879 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.669 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 3.6 mmtt -71.03 -37.86 72.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.694 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 10.2 mtmm -64.2 -50.05 69.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.0 mt -64.16 -38.94 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 121.04 0.448 . . . . 0.0 111.16 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.615 ' HD3' ' HA ' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.8 -45.88 92.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -41.53 80.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 2.5 mtm-85 -60.86 -33.69 73.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.702 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -63.46 -49.21 74.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.512 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 0.2 OUTLIER -61.75 -39.04 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.163 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.78 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.304 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.28 -43.84 96.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.52 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 651' ' ' LEU . 46.2 t -57.49 -46.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.4 ' O ' ' HD2' ' A' ' 660' ' ' LYS . 8.5 m120 -63.31 -29.22 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.6 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.774 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.639 ' CG1' HD13 ' B' ' 662' ' ' LEU . 5.6 tt -64.51 -26.82 41.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.656 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.539 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 5.4 tptt -69.1 -40.74 78.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 656' ' ' ASN . 0.1 OUTLIER -62.32 -41.62 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.932 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.81 69.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.303 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.79 85.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -83.58 -20.55 33.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.723 0.297 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.54 -35.7 81.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.64 74.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.8 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.85 -31.63 51.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -48.07 81.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.159 0.504 . . . . 0.0 111.839 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -60.32 -39.47 87.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 179.414 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.634 HD21 ' HA ' ' C' ' 613' ' ' ARG . 3.0 mt -64.26 -37.54 87.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.647 ' HA ' HD21 ' A' ' 612' ' ' LEU . 10.8 ttm180 -64.4 -37.03 86.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.56 68.9 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.634 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.441 ' HG2' ' CG1' ' C' ' 616' ' ' VAL . 3.0 tt0 -63.74 -38.43 91.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 612' ' ' LEU . 75.5 t -66.63 -45.11 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -50.01 75.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.313 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.633 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.1 mt-10 -65.43 -29.29 69.96 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.945 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -61.14 -50.11 74.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -39.02 76.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 28.9 t -67.49 -32.89 74.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 618' ' ' GLU . 96.8 mt -62.45 -49.51 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.598 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.522 HG22 ' SD ' ' A' ' 626' ' ' MET . 5.5 mt -62.54 -35.44 70.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.164 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.29 -45.78 75.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 14.9 p -68.26 -43.11 78.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.999 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.573 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 54.2 mtt -65.21 -36.21 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.57 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.29 99.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.63 -34.16 76.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.56 -46.77 74.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.804 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.46 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.0 OUTLIER -66.57 -36.63 83.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' B' ' 634' ' ' ILE . 2.5 mmpt? -65.46 -41.44 93.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.07 93.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.964 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.589 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.3 mm-40 -62.42 -39.66 94.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.075 0.464 . . . . 0.0 111.881 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.596 HG21 ' HB3' ' A' ' 633' ' ' GLU . 32.9 mt -62.77 -40.57 89.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 -179.551 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.574 HD21 ' HG ' ' C' ' 638' ' ' LEU . 14.2 mt -67.9 -41.81 82.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.73 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.548 ' HG ' HD21 ' A' ' 637' ' ' LEU . 4.3 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -43.96 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.752 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -40.38 95.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 641' ' ' LEU . 1.0 OUTLIER -66.84 -42.88 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.777 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.44 -40.15 95.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.494 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.15 -32.47 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.226 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.679 ' HG2' ' HD3' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -70.67 -32.72 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.893 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.682 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 3.6 mmtt -71.01 -37.79 72.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 10.2 mtmm -64.27 -50.06 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.16 -38.93 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 111.187 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.619 ' HA ' ' HD3' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.73 -45.98 92.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.018 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -41.59 80.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 2.5 mtm-85 -60.89 -33.71 73.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.649 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -63.42 -49.21 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.498 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 0.2 OUTLIER -61.76 -39.02 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.166 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.76 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.353 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.27 -43.75 97.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.531 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.649 HG23 ' O ' ' B' ' 651' ' ' LEU . 46.4 t -57.63 -46.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.35 -29.12 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -54.51 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.647 ' CG1' HD13 ' C' ' 662' ' ' LEU . 5.6 tt -64.42 -26.9 41.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.663 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.55 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 5.4 tptt -69.06 -40.77 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -41.66 98.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' C' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.8 85.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.64 -20.56 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.61 -35.65 81.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.63 -34.75 74.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.61 -35.76 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.394 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.406 ' H ' HG23 ' C' ' 609' ' ' VAL . 2.1 t -68.85 -31.59 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.38 -48.12 81.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.153 0.502 . . . . 0.0 111.784 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.423 ' HB3' HH22 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.5 179.416 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.651 HD21 ' HA ' ' A' ' 613' ' ' ARG . 3.0 mt -64.3 -37.49 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 111.126 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.634 ' HA ' HD21 ' B' ' 612' ' ' LEU . 10.8 ttm180 -64.43 -37.06 86.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -48.62 68.78 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.596 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.442 ' HG2' ' CG1' ' A' ' 616' ' ' VAL . 3.0 tt0 -63.66 -38.38 90.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.992 0.425 . . . . 0.0 111.186 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.579 HG23 ' O ' ' C' ' 612' ' ' LEU . 75.1 t -66.65 -45.19 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -50.01 75.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.276 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.645 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.1 mt-10 -65.49 -29.31 69.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.555 ' HB3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -61.11 -50.22 74.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -39.07 76.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.645 HG13 ' O ' ' C' ' 618' ' ' GLU . 96.8 mt -62.45 -49.48 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.645 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.528 HG22 ' SD ' ' B' ' 626' ' ' MET . 5.5 mt -62.63 -35.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.195 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.39 -45.76 75.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.191 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 14.8 p -68.28 -43.13 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.571 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 54.2 mtt -65.19 -36.19 83.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.573 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 0.0 OUTLIER -62.82 -43.36 99.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -67.45 -34.21 76.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -66.63 -46.69 74.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.45 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.0 OUTLIER -66.58 -36.66 83.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' C' ' 634' ' ' ILE . 2.5 mmpt? -65.34 -41.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -41.98 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.018 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.3 mm-40 -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.84 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' B' ' 633' ' ' GLU . 32.4 mt -62.65 -40.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.127 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.486 ' N ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -61.6 -41.45 97.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.473 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.4 -38.27 90.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.0 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.577 HD21 ' HG ' ' A' ' 638' ' ' LEU . 14.2 mt -67.94 -41.8 81.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.754 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.574 ' HG ' HD21 ' B' ' 637' ' ' LEU . 4.3 mt -63.19 -41.91 99.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -43.85 93.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -40.28 95.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.497 ' HA ' HD21 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -66.85 -42.93 84.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.788 179.54 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -40.05 95.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.567 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.22 -32.53 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.186 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.669 ' HG2' ' HD3' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.73 70.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.679 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 3.6 mmtt -70.95 -37.87 72.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 10.2 mtmm -64.23 -50.1 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.08 -39.04 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.022 0.439 . . . . 0.0 111.201 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.619 ' HD3' ' HA ' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.72 -45.88 92.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -41.62 80.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.775 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 2.5 mtm-85 -60.85 -33.83 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.645 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -63.3 -49.27 74.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.785 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.504 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 0.2 OUTLIER -61.69 -39.08 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.202 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.73 -43.6 98.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.24 -43.83 96.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.547 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.645 HG23 ' O ' ' C' ' 651' ' ' LEU . 46.2 t -57.52 -46.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' C' ' 660' ' ' LYS . 8.5 m120 -63.27 -29.22 70.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.65 13.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.752 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.63 ' CG1' HD13 ' A' ' 662' ' ' LEU . 5.6 tt -64.49 -26.76 41.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.656 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.548 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 5.4 tptt -69.17 -40.71 77.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' C' ' 656' ' ' ASN . 0.1 OUTLIER -62.28 -41.71 98.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.8 69.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.298 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.722 ' CD1' HD12 ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.71 -37.82 85.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -83.54 -20.62 33.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.11 -56.42 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.31 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.99 -43.02 72.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . 0.856 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -62.02 -40.37 95.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.849 HG11 ' HB1' ' C' ' 608' ' ' ALA . 51.6 t -72.9 -34.0 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.57 63.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 111.769 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.27 -39.01 93.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.506 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.5 OUTLIER -67.42 -41.92 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.063 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.516 ' HA ' HD11 ' C' ' 612' ' ' LEU . 3.9 tpp180 -62.29 -41.12 98.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.027 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 38.6 p -67.31 -37.41 83.31 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.475 ' HB3' HG11 ' B' ' 616' ' ' VAL . 1.7 mt-30 -69.44 -41.15 76.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 111.107 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 612' ' ' LEU . 45.8 t -71.08 -40.03 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -61.78 -49.11 77.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.284 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.456 ' O ' HG13 ' A' ' 622' ' ' ILE . 2.6 mm-40 -64.65 -42.01 95.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' A' ' 622' ' ' ILE . 5.7 tp -59.38 -41.22 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -59.14 -41.63 88.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.76 -34.81 78.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.599 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 619' ' ' LEU . 31.2 mt -69.68 -31.49 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.584 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.775 HD11 HD11 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -67.98 -49.17 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.242 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -61.76 -43.56 98.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 34.9 m -67.84 -40.81 83.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.011 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.586 ' HG3' ' HG3' ' B' ' 627' ' ' LYS . 14.3 ttm -68.2 -38.38 81.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.602 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 9.1 tttt -65.4 -48.69 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -32.81 71.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.076 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 625' ' ' THR . 1.9 mt-30 -65.14 -43.13 92.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.558 ' HG2' ' N ' ' A' ' 631' ' ' LYS . 0.4 OUTLIER -67.8 -36.74 80.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.595 ' O ' HG13 ' A' ' 634' ' ' ILE . 10.5 mttm -68.23 -39.02 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.32 -41.85 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.935 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.41 -51.63 64.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.129 0.49 . . . . 0.0 111.89 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.3 pp -61.58 -36.19 71.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.15 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.507 ' HA ' HD12 ' A' ' 638' ' ' LEU . 2.2 tppp? -62.69 -42.63 99.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.411 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -42.02 91.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.016 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.667 HD23 HD12 ' B' ' 641' ' ' LEU . 1.8 mt -62.06 -41.11 97.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 635' ' ' LYS . 9.7 mt -62.5 -38.83 91.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.462 ' HB3' HD13 ' B' ' 641' ' ' LEU . 7.1 tt0 -65.06 -44.02 90.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.661 HD12 HD23 ' C' ' 637' ' ' LEU . 0.4 OUTLIER -60.66 -37.0 80.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.799 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -38.3 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.578 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.3 -45.45 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.252 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.619 ' HG3' ' HD3' ' B' ' 645' ' ' LYS . 3.2 tt0 -68.38 -22.55 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.941 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.62 ' HD3' ' HG3' ' C' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.28 3.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.716 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.62 -44.38 85.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.539 HD12 HH12 ' A' ' 650' ' ' ARG . 0.5 OUTLIER -64.16 -38.9 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.062 0.458 . . . . 0.0 111.241 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.613 HH12 HD12 ' A' ' 649' ' ' LEU . 7.4 tmm_? -64.98 -41.56 95.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.613 HD12 HH12 ' A' ' 648' ' ' ARG . 0.2 OUTLIER -64.57 -41.41 96.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.539 HH12 HD12 ' A' ' 647' ' ' ILE . 0.4 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.737 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 655' ' ' VAL . 23.0 tp -66.35 -37.66 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.724 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.431 ' HG2' HD22 ' C' ' 651' ' ' LEU . 6.5 mm-40 -57.8 -44.2 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.186 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.29 -44.45 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.84 -47.96 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.489 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 651' ' ' LEU . 20.3 t -58.6 -37.86 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.101 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -45.14 93.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.746 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.749 HG23 HD22 ' B' ' 662' ' ' LEU . 1.3 mt -69.14 -32.28 53.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.642 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.622 ' HD2' HE21 ' A' ' 663' ' ' GLN . 0.5 OUTLIER -68.31 -49.44 60.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.4 93.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.81 76.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.345 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.771 HD22 HG23 ' C' ' 658' ' ' ILE . 0.3 OUTLIER -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.539 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . 0.622 HE21 ' HD2' ' A' ' 659' ' ' LYS . 5.3 mt-30 -82.87 -19.8 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.9 -43.14 72.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.17 -34.95 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . 0.852 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -62.02 -40.34 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.428 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.856 HG11 ' HB1' ' A' ' 608' ' ' ALA . 51.2 t -72.85 -34.1 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.617 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.54 63.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 111.815 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -39.06 93.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.626 ' O ' HG23 ' B' ' 616' ' ' VAL . 0.5 OUTLIER -67.44 -41.89 84.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 111.14 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.507 ' HA ' HD11 ' A' ' 612' ' ' LEU . 3.9 tpp180 -62.16 -41.31 98.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.43 83.68 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.694 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.476 ' HB3' HG11 ' C' ' 616' ' ' VAL . 1.7 mt-30 -69.4 -41.16 76.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.146 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 612' ' ' LEU . 45.9 t -71.1 -39.97 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -61.78 -49.14 77.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.299 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' B' ' 622' ' ' ILE . 2.7 mm-40 -64.59 -42.07 95.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.699 ' HA ' HD12 ' B' ' 622' ' ' ILE . 5.7 tp -59.37 -41.18 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -41.66 88.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.63 -34.92 78.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' B' ' 619' ' ' LEU . 31.3 mt -69.64 -31.52 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.556 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.771 HD11 HD11 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -67.99 -49.2 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.319 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 35.4 m -67.8 -40.83 83.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.032 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.594 ' HG3' ' HG3' ' C' ' 627' ' ' LYS . 14.3 ttm -68.15 -38.42 82.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.586 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 9.2 tttt -65.45 -48.7 71.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.052 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -32.91 71.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.065 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 625' ' ' THR . 1.9 mt-30 -65.16 -43.15 92.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.562 ' HG2' ' N ' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -67.85 -36.65 80.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.593 ' O ' HG13 ' B' ' 634' ' ' ILE . 10.4 mttm -68.19 -39.11 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -66.25 -41.82 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.978 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.53 -51.47 65.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.03 0.443 . . . . 0.0 111.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.593 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.3 pp -61.69 -36.21 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.079 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' B' ' 638' ' ' LEU . 2.2 tppp? -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.491 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -41.95 91.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.654 HD23 HD12 ' C' ' 641' ' ' LEU . 1.8 mt -62.07 -41.29 98.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -62.4 -38.82 91.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -46.84 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' C' ' 641' ' ' LEU . 7.1 tt0 -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.985 0.422 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.667 HD12 HD23 ' A' ' 637' ' ' LEU . 0.4 OUTLIER -60.72 -36.92 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.799 179.561 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -38.23 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.491 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.34 -45.41 91.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.241 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.61 ' HG3' ' HD3' ' C' ' 645' ' ' LYS . 3.2 tt0 -68.39 -22.63 64.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.619 ' HD3' ' HG3' ' A' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.31 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.723 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.57 -44.33 85.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.55 HD12 HH12 ' B' ' 650' ' ' ARG . 0.5 OUTLIER -64.2 -38.95 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.065 0.46 . . . . 0.0 111.186 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.626 HH12 HD12 ' B' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.048 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.626 HD12 HH12 ' B' ' 648' ' ' ARG . 0.2 OUTLIER -64.56 -41.37 96.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.55 HH12 HD12 ' B' ' 647' ' ' ILE . 0.4 OUTLIER -61.33 -42.06 98.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.805 ' O ' HG23 ' B' ' 655' ' ' VAL . 23.1 tp -66.39 -37.62 85.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.423 ' HG2' HD22 ' A' ' 651' ' ' LEU . 6.5 mm-40 -57.82 -44.28 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.141 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.16 -44.51 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.362 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -47.95 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.545 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.805 HG23 ' O ' ' B' ' 651' ' ' LEU . 20.0 t -58.58 -37.79 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 111.22 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.77 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -45.11 93.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.765 HG23 HD22 ' C' ' 662' ' ' LEU . 1.3 mt -69.07 -32.33 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.65 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.629 ' HD2' HE21 ' B' ' 663' ' ' GLN . 0.5 OUTLIER -68.24 -49.41 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 111.109 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -45.45 93.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.86 76.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.749 HD22 HG23 ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.467 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . 0.629 HE21 ' HD2' ' B' ' 659' ' ' LYS . 5.2 mt-30 -82.79 -19.84 36.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.91 -43.11 72.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.94 79.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . 0.849 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -62.03 -40.41 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.389 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.852 HG11 ' HB1' ' B' ' 608' ' ' ALA . 51.9 t -72.85 -34.12 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.39 -52.44 63.59 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.129 0.49 . . . . 0.0 111.783 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.23 -39.15 93.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.432 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.621 ' O ' HG23 ' C' ' 616' ' ' VAL . 0.5 OUTLIER -67.38 -41.88 84.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.505 ' HA ' HD11 ' B' ' 612' ' ' LEU . 3.9 tpp180 -62.21 -41.29 98.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.44 83.71 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.69 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.489 ' HB3' HG11 ' A' ' 616' ' ' VAL . 1.7 mt-30 -69.41 -41.18 76.74 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.981 0.42 . . . . 0.0 111.145 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.621 HG23 ' O ' ' C' ' 612' ' ' LEU . 46.1 t -71.07 -40.05 75.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -49.16 77.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.333 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.468 ' O ' HG13 ' C' ' 622' ' ' ILE . 2.6 mm-40 -64.59 -42.06 95.84 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' C' ' 622' ' ' ILE . 5.8 tp -59.37 -41.14 88.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.039 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -41.79 88.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.67 -34.78 78.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.602 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' C' ' 619' ' ' LEU . 31.1 mt -69.68 -31.53 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.775 HD11 HD11 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -67.94 -49.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.292 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -61.76 -43.54 98.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 35.0 m -67.82 -40.85 83.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.035 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.602 ' HG3' ' HG3' ' A' ' 627' ' ' LYS . 14.2 ttm -68.06 -38.45 82.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.594 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 9.1 tttt -65.44 -48.72 71.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -32.88 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' C' ' 625' ' ' THR . 1.9 mt-30 -65.1 -43.13 93.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.572 ' HG2' ' N ' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -67.83 -36.69 80.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.589 ' O ' HG13 ' C' ' 634' ' ' ILE . 10.4 mttm -68.18 -39.11 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.23 -41.82 89.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.008 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.49 -51.52 65.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.858 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.589 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.3 pp -61.64 -36.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.039 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' C' ' 638' ' ' LEU . 2.2 tppp? -62.52 -42.68 99.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.51 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.03 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.96 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 641' ' ' LEU . 1.8 mt -61.99 -41.23 97.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -62.41 -38.87 91.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -46.84 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.777 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.464 ' HB3' HD13 ' A' ' 641' ' ' LEU . 7.1 tt0 -65.0 -43.93 90.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.654 HD12 HD23 ' B' ' 637' ' ' LEU . 0.4 OUTLIER -60.83 -36.89 80.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.769 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -38.17 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.47 -45.31 91.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.208 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.62 ' HG3' ' HD3' ' A' ' 645' ' ' LYS . 3.2 tt0 -68.48 -22.61 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.61 ' HD3' ' HG3' ' B' ' 644' ' ' GLU . 2.8 mmtm -70.36 -58.23 3.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.66 -44.38 85.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.55 HD12 HH12 ' C' ' 650' ' ' ARG . 0.5 OUTLIER -64.14 -39.0 83.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.168 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.596 HH12 HD12 ' C' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.49 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.596 HD12 HH12 ' C' ' 648' ' ' ARG . 0.2 OUTLIER -64.62 -41.37 96.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.735 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.55 HH12 HD12 ' C' ' 647' ' ' ILE . 0.4 OUTLIER -61.27 -42.1 98.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.724 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.795 ' O ' HG23 ' C' ' 655' ' ' VAL . 23.1 tp -66.43 -37.62 85.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.422 ' HG2' HD22 ' B' ' 651' ' ' LEU . 6.5 mm-40 -57.78 -44.23 86.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.23 -44.48 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.294 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -47.93 83.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.491 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.795 HG23 ' O ' ' C' ' 651' ' ' LEU . 20.0 t -58.59 -37.86 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.153 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.79 95.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.771 HG23 HD22 ' A' ' 662' ' ' LEU . 1.3 mt -69.11 -32.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.666 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.628 ' HD2' HE21 ' C' ' 663' ' ' GLN . 0.5 OUTLIER -68.23 -49.39 61.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.86 76.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.392 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.765 HD22 HG23 ' B' ' 658' ' ' ILE . 0.3 OUTLIER -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . 0.628 HE21 ' HD2' ' C' ' 659' ' ' LYS . 5.2 mt-30 -82.88 -19.86 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.798 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -54.16 7.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.451 ' HA ' HE21 ' B' ' 606' ' ' GLN . 19.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 610' ' ' GLU . 1.3 mm-40 -71.26 -33.35 69.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.45 93.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.1 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.432 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.83 -35.87 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 606' ' ' GLN . 3.9 mm-40 -62.7 -43.65 98.25 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.162 0.505 . . . . 0.0 111.75 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.409 ' HB3' ' NH2' ' B' ' 613' ' ' ARG . 0.2 OUTLIER -62.99 -42.49 99.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.921 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.4 mt -65.07 -35.8 82.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.111 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.933 ' HA ' HD21 ' C' ' 612' ' ' LEU . 18.3 ttm180 -64.82 -39.93 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -44.05 85.28 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.607 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.34 -41.42 80.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.177 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.561 HG21 HD22 ' C' ' 612' ' ' LEU . 40.0 t -59.71 -44.36 93.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.08 -43.63 98.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.317 -179.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.36 -35.3 80.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.772 HD23 HD11 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.93 -43.41 94.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.52 84.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -29.95 68.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.61 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.37 -49.02 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.768 HD11 HD23 ' C' ' 619' ' ' LEU . 1.9 mt -59.38 -43.88 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.84 -45.7 92.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.271 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.66 -42.73 98.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.674 ' SD ' HG22 ' B' ' 623' ' ' ILE . 19.1 mtt -63.8 -37.31 86.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.423 ' HD3' ' NE2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -69.63 -37.49 76.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.49 91.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -64.82 -50.43 66.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 634' ' ' ILE . 0.7 OUTLIER -63.55 -40.92 98.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.686 ' HZ3' HD13 ' A' ' 634' ' ' ILE . 0.2 OUTLIER -58.18 -44.57 88.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.978 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -36.89 83.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.065 0.46 . . . . 0.0 111.893 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.686 HD13 ' HZ3' ' A' ' 631' ' ' LYS . 5.6 mt -65.34 -35.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.105 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.425 ' HA ' HD12 ' A' ' 638' ' ' LEU . 9.3 mmtp -64.81 -43.0 94.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.417 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -64.73 -39.38 93.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -42.93 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 635' ' ' LYS . 8.3 mt -63.69 -44.69 92.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.169 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -40.22 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.781 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . 0.482 ' O ' ' HE2' ' A' ' 646' ' ' LYS . 0.8 OUTLIER -61.21 -36.74 80.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.544 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -40.28 83.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.289 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -63.25 -37.32 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.87 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.576 ' HA ' ' OE2' ' C' ' 644' ' ' GLU . 10.6 mmtt -62.68 -50.67 70.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.482 ' HE2' ' O ' ' A' ' 642' ' ' ASP . 3.7 mtmm -56.19 -53.91 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 650' ' ' ARG . 7.5 mt -57.9 -40.77 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.063 0.459 . . . . 0.0 111.199 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' C' ' 647' ' ' ILE . 5.0 tmm_? -64.75 -36.22 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.01 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.67 -46.39 85.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.451 ' HD2' ' HA ' ' A' ' 647' ' ' ILE . 5.3 mtt180 -63.3 -31.32 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -62.34 -51.34 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.509 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.7 tt0 -59.34 -35.38 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.209 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.23 -43.92 93.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.343 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 658' ' ' ILE . 4.6 tt0 -62.47 -42.36 99.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 651' ' ' LEU . 28.3 t -63.59 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.58 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.59 64.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.757 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 659' ' ' LYS . 8.5 tt -65.21 -36.41 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.636 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' C' ' 658' ' ' ILE . 2.2 tptt -60.81 -43.51 98.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.814 0.34 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -45.17 89.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.64 81.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.331 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -29.14 63.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -28.06 38.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.451 ' HA ' HE21 ' C' ' 606' ' ' GLN . 18.8 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.75 0.31 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' B' ' 610' ' ' GLU . 1.3 mm-40 -71.25 -33.24 69.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.44 93.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.24 84.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.82 -35.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 606' ' ' GLN . 3.9 mm-40 -62.63 -43.65 98.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.253 0.549 . . . . 0.0 111.782 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.414 ' HB3' ' NH2' ' C' ' 613' ' ' ARG . 0.2 OUTLIER -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.447 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.953 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.4 mt -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.921 ' HA ' HD21 ' A' ' 612' ' ' LEU . 18.3 ttm180 -64.79 -40.02 94.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.06 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -44.05 85.71 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.671 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.29 -41.57 80.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.02 0.438 . . . . 0.0 111.163 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.552 HG21 HD22 ' A' ' 612' ' ' LEU . 40.1 t -59.64 -44.3 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.12 -43.59 97.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.311 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.39 -35.26 80.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.747 HD23 HD11 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -60.04 -43.32 95.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.603 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.56 84.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -30.08 69.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 8.6 mt -65.23 -49.14 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.772 HD11 HD23 ' A' ' 619' ' ' LEU . 1.9 mt -59.25 -43.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.243 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.9 -45.74 92.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -42.78 98.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.665 ' SD ' HG22 ' C' ' 623' ' ' ILE . 19.2 mtt -63.72 -37.32 86.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.415 ' HD3' ' NE2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -69.53 -37.59 77.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.077 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.45 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -64.77 -50.52 66.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.439 ' O ' HD12 ' B' ' 634' ' ' ILE . 0.7 OUTLIER -63.51 -40.91 98.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.693 ' HZ3' HD13 ' B' ' 634' ' ' ILE . 0.2 OUTLIER -58.06 -44.62 87.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.945 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -36.87 83.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 111.887 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.693 HD13 ' HZ3' ' B' ' 631' ' ' LYS . 5.6 mt -65.31 -35.51 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.057 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' B' ' 638' ' ' LEU . 9.3 mmtp -64.67 -43.12 94.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.58 -39.45 93.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.26 -43.0 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.718 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 635' ' ' LYS . 8.3 mt -63.61 -44.7 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -43.24 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.7 -43.5 97.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.787 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HE2' ' B' ' 646' ' ' LYS . 0.8 OUTLIER -61.13 -36.79 80.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.541 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -40.3 83.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.254 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.561 ' OE2' ' HA ' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -63.18 -37.34 86.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.578 ' HA ' ' OE2' ' A' ' 644' ' ' GLU . 10.6 mmtt -62.72 -50.63 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' B' ' 642' ' ' ASP . 3.7 mtmm -56.34 -53.72 53.98 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.453 HG22 ' HD3' ' C' ' 648' ' ' ARG . 7.5 mt -57.9 -40.89 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 121.103 0.477 . . . . 0.0 111.202 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 647' ' ' ILE . 5.0 tmm_? -64.6 -36.28 83.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.097 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.57 -46.47 85.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.733 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' B' ' 647' ' ' ILE . 5.3 mtt180 -63.27 -31.28 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.53 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -62.47 -51.29 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.503 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.7 tt0 -59.41 -35.3 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.152 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.32 -43.99 92.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.27 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.43 ' O ' HG22 ' B' ' 658' ' ' ILE . 4.6 tt0 -62.33 -42.43 99.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.533 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 651' ' ' LEU . 27.4 t -63.49 -38.89 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 111.266 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -71.44 -34.35 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -50.58 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' C' ' 659' ' ' LYS . 8.5 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.637 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' ' 658' ' ' ILE . 2.2 tptt -60.68 -43.6 97.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.772 0.32 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -45.18 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.65 81.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.297 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -29.12 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -28.01 38.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.456 ' HA ' HE21 ' A' ' 606' ' ' GLN . 18.6 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' C' ' 610' ' ' GLU . 1.3 mm-40 -71.27 -33.2 69.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.44 93.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.11 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.85 -35.8 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' C' ' 606' ' ' GLN . 3.9 mm-40 -62.73 -43.63 98.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.415 ' HB3' ' NH2' ' A' ' 613' ' ' ARG . 0.2 OUTLIER -63.09 -42.43 99.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.398 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.4 mt -65.09 -35.82 82.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.953 ' HA ' HD21 ' B' ' 612' ' ' LEU . 18.3 ttm180 -64.83 -39.91 94.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -44.08 85.2 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.598 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.27 -41.53 80.93 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.056 0.455 . . . . 0.0 111.135 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.563 HG21 HD22 ' B' ' 612' ' ' LEU . 39.8 t -59.79 -44.3 93.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.07 -43.6 98.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.339 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.34 -35.34 80.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.768 HD23 HD11 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.015 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -58.88 -40.5 84.55 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -30.02 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.561 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.3 -49.0 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.025 0.441 . . . . 0.0 111.612 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.747 HD11 HD23 ' B' ' 619' ' ' LEU . 1.9 mt -59.39 -43.96 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.196 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.83 -45.68 92.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.7 -42.74 97.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.662 ' SD ' HG22 ' A' ' 623' ' ' ILE . 19.2 mtt -63.76 -37.34 87.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.413 ' HD3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -69.57 -37.49 77.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -65.76 -39.45 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.997 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -64.83 -50.49 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.758 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.436 ' O ' HD12 ' C' ' 634' ' ' ILE . 0.7 OUTLIER -63.48 -40.93 98.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.966 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.7 ' HZ3' HD13 ' C' ' 634' ' ' ILE . 0.2 OUTLIER -58.09 -44.63 87.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -36.84 83.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.851 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.7 HD13 ' HZ3' ' C' ' 631' ' ' LYS . 5.6 mt -65.38 -35.47 75.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.068 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' C' ' 638' ' ' LEU . 9.3 mmtp -64.66 -43.02 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.448 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.73 -39.49 93.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.22 -43.01 99.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.796 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' C' ' 635' ' ' LYS . 8.3 mt -63.58 -44.66 93.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.784 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.67 -43.54 97.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.993 0.425 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -40.18 96.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.752 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . 0.486 ' O ' ' HE2' ' C' ' 646' ' ' LYS . 0.8 OUTLIER -61.24 -36.76 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.488 -179.322 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.246 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -63.2 -37.33 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.561 ' HA ' ' OE2' ' B' ' 644' ' ' GLU . 10.6 mmtt -62.67 -50.64 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' C' ' 642' ' ' ASP . 3.7 mtmm -56.36 -53.69 54.42 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.267 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.449 HG22 ' HD3' ' A' ' 648' ' ' ARG . 7.5 mt -57.94 -40.9 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 121.04 0.448 . . . . 0.0 111.117 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.453 ' HD3' HG22 ' B' ' 647' ' ' ILE . 5.0 tmm_? -64.68 -36.21 83.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.018 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.64 -46.44 85.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' C' ' 650' ' ' ARG . 5.3 mtt180 -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.704 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.527 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -62.42 -51.31 68.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.496 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.7 tt0 -59.43 -35.32 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.255 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.22 -43.99 93.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.283 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.421 ' O ' HG22 ' C' ' 658' ' ' ILE . 4.6 tt0 -62.45 -42.33 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.527 HG23 ' O ' ' C' ' 651' ' ' LEU . 27.6 t -63.54 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.57 -34.24 69.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.51 64.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 659' ' ' LYS . 8.5 tt -65.33 -36.32 77.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.681 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' B' ' 658' ' ' ILE . 2.2 tptt -60.72 -43.59 97.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.836 0.35 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.27 89.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.66 81.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.304 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 0.0 OUTLIER -72.16 -29.04 63.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.93 37.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m -75.54 -42.98 51.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.793 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.2 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.718 0.294 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -46.94 42.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.46 73.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.93 86.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.393 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 605' ' ' SER . 5.8 t -66.46 -44.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -45.98 84.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.192 0.52 . . . . 0.0 111.8 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.85 -32.02 73.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.42 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -66.79 -46.06 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 111.148 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.41 -44.59 92.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 618' ' ' GLU . 64.7 p -67.42 -32.83 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.605 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.791 ' HB3' HG11 ' B' ' 616' ' ' VAL . 1.8 mt-30 -62.75 -54.26 41.89 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.802 HG11 ' HB3' ' C' ' 615' ' ' GLN . 3.1 t -66.96 -33.17 61.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -53.13 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 614' ' ' THR . 76.4 mt-10 -64.76 -41.99 95.48 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 623' ' ' ILE . 10.2 tp -59.7 -40.13 86.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.623 ' HD2' HD22 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.85 -44.94 91.12 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.978 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.11 -41.05 78.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.634 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 619' ' ' LEU . 46.9 mt -64.79 -37.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.611 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 619' ' ' LEU . 0.9 OUTLIER -63.67 -43.25 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.272 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -42.53 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . 0.661 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 24.4 m -63.22 -43.61 97.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.012 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.5 -36.42 71.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.44 20.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . 0.557 ' HB3' HH21 ' A' ' 632' ' ' ARG . 26.2 m-20 -66.34 -29.87 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.661 ' HB2' ' O ' ' A' ' 625' ' ' THR . 5.9 tt0 -65.02 -44.19 90.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 627' ' ' LYS . 4.5 pt20 -66.42 -35.88 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 634' ' ' ILE . 15.6 mttm -61.85 -47.69 83.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . 0.557 HH21 ' HB3' ' A' ' 628' ' ' ASP . 9.0 mtt180 -67.71 -38.87 84.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.024 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.591 ' HB3' HG21 ' B' ' 634' ' ' ILE . 52.3 mt-10 -58.96 -52.92 63.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' C' ' 633' ' ' GLU . 1.7 pp -68.1 -35.23 70.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.125 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.55 -52.81 63.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.448 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.47 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.451 HD23 HD12 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -62.46 -41.51 98.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.607 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.6 -42.37 98.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.811 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.57 -37.17 82.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.008 0.432 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.4 OUTLIER -68.69 -40.23 80.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.768 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.28 -39.31 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 647' ' ' ILE . 2.5 tt0 -65.49 -41.51 93.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.217 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.677 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 4.3 tt0 -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 2.5 mmtt -68.47 -48.1 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -45.03 88.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.263 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 643' ' ' GLU . 4.8 tt -67.08 -36.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.25 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.667 HH11 ' HG3' ' A' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.3 66.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.02 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.434 ' HG ' HH12 ' A' ' 648' ' ' ARG . 0.4 OUTLIER -60.74 -41.07 94.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.736 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 647' ' ' ILE . 19.8 mtp180 -59.0 -45.61 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.655 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 655' ' ' VAL . 8.7 tp -63.06 -31.45 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.667 ' HG3' HH11 ' A' ' 648' ' ' ARG . 2.7 mm-40 -60.33 -41.86 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.27 89.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 111.363 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.471 ' O ' HG13 ' A' ' 658' ' ' ILE . 16.6 tt0 -62.68 -43.95 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 651' ' ' LEU . 81.6 t -57.78 -45.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -38.35 69.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.23 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.741 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 654' ' ' GLU . 0.6 OUTLIER -63.01 -34.89 69.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.699 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.41 ' HD3' ' OE1' ' A' ' 663' ' ' GLN . 0.3 OUTLIER -70.66 -41.27 72.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.048 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -45.65 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.992 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.805 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -71.66 -35.21 70.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.307 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' C' ' 661' ' ' ALA . 1.2 tp -68.03 -31.24 70.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.539 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . 0.41 ' OE1' ' HD3' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -80.94 -30.43 35.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.789 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.2 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.729 0.299 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -46.94 42.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.47 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.76 86.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.789 HG23 ' O ' ' B' ' 605' ' ' SER . 5.9 t -66.61 -45.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -46.15 83.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.212 0.53 . . . . 0.0 111.796 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.75 -32.07 73.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 612' ' ' LEU . 0.0 OUTLIER -66.78 -46.13 76.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.25 -44.68 92.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' B' ' 618' ' ' GLU . 64.9 p -67.39 -32.85 74.04 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.608 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.779 ' HB3' HG11 ' C' ' 616' ' ' VAL . 1.8 mt-30 -62.81 -54.13 43.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.018 0.437 . . . . 0.0 111.184 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.791 HG11 ' HB3' ' A' ' 615' ' ' GLN . 3.1 t -67.03 -33.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -63.77 -53.02 57.44 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.36 -179.758 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 614' ' ' THR . 76.4 mt-10 -64.75 -42.08 95.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.658 ' O ' HD12 ' B' ' 623' ' ' ILE . 10.3 tp -59.68 -40.23 87.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.633 ' HD2' HD22 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.8 -44.97 90.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -40.97 78.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' B' ' 619' ' ' LEU . 46.5 mt -64.7 -37.63 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 0.0 111.711 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.658 HD12 ' O ' ' B' ' 619' ' ' LEU . 0.9 OUTLIER -63.81 -43.13 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.14 -42.57 88.93 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . 0.66 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 24.2 m -63.11 -43.68 97.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.48 -36.39 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.55 19.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . 0.559 ' HB3' HH21 ' B' ' 632' ' ' ARG . 26.2 m-20 -66.18 -29.99 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.017 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.66 ' HB2' ' O ' ' B' ' 625' ' ' THR . 5.9 tt0 -64.97 -44.15 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.762 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 4.5 pt20 -66.5 -35.86 81.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.483 ' O ' HG13 ' B' ' 634' ' ' ILE . 15.6 mttm -61.81 -47.72 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.559 HH21 ' HB3' ' B' ' 628' ' ' ASP . 9.0 mtt180 -67.67 -38.93 84.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.953 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' C' ' 634' ' ' ILE . 52.4 mt-10 -58.91 -52.99 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 111.894 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.591 HG21 ' HB3' ' A' ' 633' ' ' GLU . 1.7 pp -68.12 -35.19 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.132 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.51 -52.83 63.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.479 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.53 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.439 HD23 HD12 ' C' ' 641' ' ' LEU . 0.5 OUTLIER -62.38 -41.51 98.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -38.08 86.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.55 -42.4 98.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.786 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.5 -37.29 82.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.638 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -68.58 -40.28 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.767 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.32 -39.3 85.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.471 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.567 ' O ' HG22 ' B' ' 647' ' ' ILE . 2.5 tt0 -65.53 -41.4 93.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.28 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.663 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 4.2 tt0 -71.95 -28.81 63.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.677 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 2.5 mmtt -68.49 -48.07 65.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.0 88.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.567 HG22 ' O ' ' B' ' 643' ' ' GLU . 4.8 tt -67.14 -36.88 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 111.245 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.666 HH11 ' HG3' ' B' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.34 66.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.044 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.442 ' HG ' HH12 ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.67 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.735 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' B' ' 647' ' ' ILE . 19.9 mtp180 -58.99 -45.57 90.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.612 ' O ' HG23 ' B' ' 655' ' ' VAL . 8.7 tp -63.12 -31.41 72.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.666 ' HG3' HH11 ' B' ' 648' ' ' ARG . 2.7 mm-40 -60.36 -41.84 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.149 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.34 -40.29 89.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.358 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 658' ' ' ILE . 16.5 tt0 -62.71 -43.88 97.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.497 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 651' ' ' LEU . 81.5 t -57.78 -45.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.22 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -38.3 69.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.54 -47.26 82.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.679 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.481 HG22 HD13 ' C' ' 662' ' ' LEU . 0.6 OUTLIER -63.04 -34.87 69.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.688 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.67 -41.21 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -45.61 84.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.822 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.344 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 661' ' ' ALA . 1.2 tp -68.0 -31.23 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.571 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . 0.403 ' OE1' ' HD3' ' B' ' 659' ' ' LYS . 0.0 OUTLIER -80.97 -30.4 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.788 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.2 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -47.03 41.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.39 72.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.77 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.439 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.788 HG23 ' O ' ' C' ' 605' ' ' SER . 5.8 t -66.55 -44.94 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -46.11 84.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 111.752 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 -32.07 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.47 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' C' ' 612' ' ' LEU . 0.0 OUTLIER -66.79 -46.15 76.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.79 0.329 . . . . 0.0 111.113 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.21 -44.68 92.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' C' ' 618' ' ' GLU . 64.3 p -67.45 -32.79 73.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.609 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.802 ' HB3' HG11 ' A' ' 616' ' ' VAL . 1.8 mt-30 -62.86 -54.2 42.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.965 0.412 . . . . 0.0 111.162 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' B' ' 615' ' ' GLN . 3.2 t -66.96 -33.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.457 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -63.74 -53.13 55.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.299 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' C' ' 614' ' ' THR . 76.4 mt-10 -64.72 -42.03 95.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.646 ' O ' HD12 ' C' ' 623' ' ' ILE . 10.2 tp -59.69 -40.19 87.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.612 ' HD2' HD22 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.83 -44.97 91.04 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -40.98 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' C' ' 619' ' ' LEU . 46.7 mt -64.8 -37.63 80.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.646 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.646 HD12 ' O ' ' C' ' 619' ' ' LEU . 0.9 OUTLIER -63.73 -43.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.222 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.04 -42.6 89.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . 0.659 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 24.3 m -63.1 -43.58 98.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.036 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.57 -36.35 70.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.51 19.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . 0.575 ' HB3' HH21 ' C' ' 632' ' ' ARG . 26.3 m-20 -66.33 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.045 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.659 ' HB2' ' O ' ' C' ' 625' ' ' THR . 5.9 tt0 -65.05 -44.06 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' C' ' 627' ' ' LYS . 4.5 pt20 -66.51 -35.89 81.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.482 ' O ' HG13 ' C' ' 634' ' ' ILE . 15.5 mttm -61.81 -47.73 83.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' C' ' 628' ' ' ASP . 9.0 mtt180 -67.7 -38.88 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.001 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.589 ' HB3' HG21 ' A' ' 634' ' ' ILE . 52.3 mt-10 -58.93 -52.92 63.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.082 0.467 . . . . 0.0 111.884 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.595 HG21 ' HB3' ' B' ' 633' ' ' GLU . 1.7 pp -68.17 -35.19 70.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.118 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.54 -52.79 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -38.49 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.434 HD23 HD12 ' A' ' 641' ' ' LEU . 0.5 OUTLIER -62.35 -41.6 98.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.747 179.582 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 22.1 m -63.6 -42.31 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.54 -37.3 82.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.639 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -68.65 -40.25 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.772 179.591 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.23 -39.37 86.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.468 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.557 ' O ' HG22 ' C' ' 647' ' ' ILE . 2.5 tt0 -65.46 -41.47 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.224 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.655 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 4.2 tt0 -71.99 -28.78 63.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.663 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 2.5 mmtt -68.5 -48.06 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.01 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 643' ' ' GLU . 4.8 tt -67.17 -36.97 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.171 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.67 HH11 ' HG3' ' C' ' 652' ' ' GLN . 6.0 tmm_? -70.89 -44.37 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.431 ' HG ' HH12 ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.64 -41.1 94.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.418 ' NH1' ' HA ' ' C' ' 647' ' ' ILE . 19.8 mtp180 -59.06 -45.54 90.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.662 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.606 ' O ' HG23 ' C' ' 655' ' ' VAL . 8.7 tp -63.09 -31.52 72.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.67 ' HG3' HH11 ' C' ' 648' ' ' ARG . 2.7 mm-40 -60.24 -41.89 94.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.146 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.26 89.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.469 ' O ' HG13 ' C' ' 658' ' ' ILE . 16.6 tt0 -62.69 -43.91 97.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.478 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.606 HG23 ' O ' ' C' ' 651' ' ' LEU . 82.9 t -57.76 -45.78 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.457 . . . . 0.0 111.239 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -38.31 69.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.26 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.744 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -62.99 -34.88 68.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.644 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.409 ' HD3' ' OE1' ' C' ' 663' ' ' GLN . 0.3 OUTLIER -70.75 -41.21 72.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 111.018 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -45.75 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . 0.823 ' HB3' HD21 ' A' ' 662' ' ' LEU . . . -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.32 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' B' ' 661' ' ' ALA . 1.2 tp -68.06 -31.28 70.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . 0.409 ' OE1' ' HD3' ' C' ' 659' ' ' LYS . 0.0 OUTLIER -81.01 -30.28 34.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.94 -37.56 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.79 64.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.3 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.32 90.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.92 -38.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.69 -50.81 71.96 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.152 0.501 . . . . 0.0 111.754 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -39.18 91.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.815 ' O ' HG23 ' A' ' 616' ' ' VAL . 12.3 mt -61.48 -44.27 97.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 111.076 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.695 ' HA ' HD21 ' C' ' 612' ' ' LEU . 11.2 ttm180 -56.47 -43.84 79.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.019 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -45.78 92.61 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.646 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.58 -38.97 92.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 111.203 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 612' ' ' LEU . 36.2 t -62.45 -50.7 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -47.2 86.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.346 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.3 -31.61 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.56 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -61.97 -50.9 70.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.4 OUTLIER -58.15 -43.14 87.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.25 78.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.64 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 619' ' ' LEU . 20.1 mt -63.97 -43.74 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.58 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 620' ' ' ARG . 4.6 mt -65.32 -43.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.234 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.43 -42.31 86.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.81 -45.12 72.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.475 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 19.3 mtt -60.98 -37.45 82.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.471 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.7 OUTLIER -65.21 -38.55 90.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.49 -45.65 82.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.61 -48.52 72.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.569 HE21 ' HG2' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -60.3 -44.08 95.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.568 ' HG2' HE21 ' C' ' 630' ' ' GLN . 4.0 mmtm -64.91 -38.18 90.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -41.44 97.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.009 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.496 ' HB3' HG21 ' B' ' 634' ' ' ILE . 1.1 mm-40 -64.27 -44.02 93.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.03 0.443 . . . . 0.0 111.839 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' C' ' 633' ' ' GLU . 35.3 mt -63.82 -41.39 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.082 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 638' ' ' LEU . 4.9 mmpp? -61.61 -37.92 85.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.5 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.3 95.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.992 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.3 mt -62.44 -41.84 99.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.6 ' HA ' HD21 ' C' ' 637' ' ' LEU . 2.0 mt -59.53 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -34.46 74.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -44.46 80.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.26 -31.98 73.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.76 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.38 -50.1 75.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.489 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.483 ' HA ' ' OE1' ' A' ' 643' ' ' GLU . 1.2 mm-40 -64.3 -37.14 86.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.283 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.578 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -61.56 -40.28 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.464 ' HD3' HH22 ' A' ' 648' ' ' ARG . 3.5 mttt -66.65 -37.47 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.417 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.84 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 111.187 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.561 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.4 tmm_? -61.49 -47.14 87.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.01 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.4 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 33.4 mtt180 -62.15 -37.6 85.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -57.41 -44.98 85.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.403 ' HA ' HD21 ' C' ' 651' ' ' LEU . 6.0 tt0 -65.74 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.122 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 111.28 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.93 -36.25 82.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 651' ' ' LEU . 25.0 t -66.37 -37.29 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.171 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.54 -53.42 48.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.753 HG13 HD22 ' B' ' 662' ' ' LEU . 13.0 tt -65.91 -31.98 56.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.642 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.6 -49.65 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 660' ' ' LYS . 1.0 OUTLIER -62.51 -43.29 99.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.84 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.33 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.766 HD22 HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -62.52 -32.71 73.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.82 -21.88 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.749 0.309 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -70.98 -28.81 64.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.21 88.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.29 91.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.462 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.99 -38.2 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.75 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.735 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -39.13 91.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.826 ' O ' HG23 ' B' ' 616' ' ' VAL . 12.3 mt -61.54 -44.15 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.799 0.333 . . . . 0.0 111.111 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.678 ' HA ' HD21 ' A' ' 612' ' ' LEU . 11.2 ttm180 -56.56 -43.77 80.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -45.75 92.89 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.57 -39.05 93.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 111.147 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.826 HG23 ' O ' ' B' ' 612' ' ' LEU . 35.8 t -62.41 -50.63 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -59.81 -47.12 86.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.31 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.45 -31.43 72.64 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.979 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -62.01 -50.89 70.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.99 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.3 OUTLIER -58.16 -43.09 87.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.85 -36.32 78.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 619' ' ' LEU . 20.1 mt -64.0 -43.68 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.57 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 620' ' ' ARG . 4.6 mt -65.33 -43.8 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -42.27 86.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.8 -45.07 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.483 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 19.2 mtt -61.05 -37.43 82.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.475 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.7 OUTLIER -65.29 -38.51 90.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.021 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.48 -45.64 82.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.57 -48.56 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.559 HE21 ' HG2' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -60.26 -44.12 95.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.569 ' HG2' HE21 ' A' ' 630' ' ' GLN . 4.0 mmtm -64.79 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -41.4 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.974 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.506 ' HB3' HG21 ' C' ' 634' ' ' ILE . 1.1 mm-40 -64.34 -44.08 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 0.0 111.808 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' A' ' 633' ' ' GLU . 35.0 mt -63.76 -41.32 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.162 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' B' ' 638' ' ' LEU . 4.9 mmpp? -61.76 -37.81 85.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.478 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -40.32 95.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.3 mt -62.39 -41.8 98.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HA ' HD21 ' A' ' 637' ' ' LEU . 2.0 mt -59.51 -50.06 75.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -34.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -44.39 80.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.75 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -59.33 -50.11 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.501 ' HA ' ' OE1' ' B' ' 643' ' ' GLU . 1.2 mm-40 -64.37 -37.19 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.2 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.572 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.0 OUTLIER -61.44 -40.39 94.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.45 ' HD3' HH22 ' B' ' 648' ' ' ARG . 3.5 mttt -66.58 -37.54 85.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.681 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.411 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -62.31 -47.66 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.87 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.21 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.578 HH21 ' HG2' ' A' ' 644' ' ' GLU . 4.4 tmm_? -61.41 -47.15 87.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.38 -46.63 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 33.1 mtt180 -62.14 -37.58 85.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.587 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -57.46 -45.07 85.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.737 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.406 ' HA ' HD21 ' A' ' 651' ' ' LEU . 6.0 tt0 -65.61 -34.4 78.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.232 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -43.85 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.03 -36.23 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 651' ' ' LEU . 25.1 t -66.4 -37.24 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.58 -43.28 97.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.4 -53.43 48.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.746 HG13 HD22 ' C' ' 662' ' ' LEU . 13.0 tt -66.07 -31.79 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.678 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.531 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.74 -49.62 67.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . 0.516 ' HZ2' ' HA ' ' B' ' 660' ' ' LYS . 1.0 OUTLIER -62.49 -43.29 99.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.66 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.304 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.753 HD22 HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -62.57 -32.73 73.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.514 179.506 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . 0.463 ' HB2' ' HZ2' ' B' ' 660' ' ' LYS . 1.9 mm-40 -82.82 -21.83 34.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.341 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.81 64.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.32 88.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.34 91.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.396 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.97 -38.23 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.77 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -39.11 91.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.832 ' O ' HG23 ' C' ' 616' ' ' VAL . 12.3 mt -61.51 -44.25 97.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.679 ' HA ' HD21 ' B' ' 612' ' ' LEU . 11.2 ttm180 -56.51 -43.86 80.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -45.85 92.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.626 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.54 -39.08 93.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.012 0.434 . . . . 0.0 111.166 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.832 HG23 ' O ' ' C' ' 612' ' ' LEU . 36.4 t -62.34 -50.7 78.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.172 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -59.74 -47.17 86.72 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.38 -31.46 72.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -62.0 -50.92 70.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.998 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.521 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.4 OUTLIER -58.13 -43.13 87.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.34 78.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' C' ' 619' ' ' LEU . 20.2 mt -63.94 -43.68 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.593 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' C' ' 620' ' ' ARG . 4.6 mt -65.39 -43.73 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -42.15 86.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.249 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -45.02 72.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.039 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.471 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 19.3 mtt -61.02 -37.53 82.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.483 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.7 OUTLIER -65.13 -38.54 90.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.44 -45.67 82.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.073 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.6 -48.51 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.568 HE21 ' HG2' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -60.25 -44.08 95.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.559 ' HG2' HE21 ' B' ' 630' ' ' GLN . 3.9 mmtm -64.96 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -41.44 97.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.078 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.489 ' HB3' HG21 ' A' ' 634' ' ' ILE . 1.1 mm-40 -64.33 -43.92 93.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.055 0.455 . . . . 0.0 111.921 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' B' ' 633' ' ' GLU . 35.4 mt -63.91 -41.3 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.066 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' C' ' 638' ' ' LEU . 4.9 mmpp? -61.72 -37.86 85.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.509 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.32 95.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.997 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.3 mt -62.4 -41.86 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.773 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.614 ' HA ' HD21 ' B' ' 637' ' ' LEU . 2.0 mt -59.51 -50.05 75.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.795 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.52 80.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.939 0.399 . . . . 0.0 110.811 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.839 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.53 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.459 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.487 ' HA ' ' OE1' ' C' ' 643' ' ' GLU . 1.2 mm-40 -64.33 -37.19 86.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.249 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.561 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.0 OUTLIER -61.47 -40.35 94.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.894 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.453 ' HD3' HH22 ' C' ' 648' ' ' ARG . 3.5 mttt -66.53 -37.54 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.712 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.42 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -62.34 -47.7 83.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.84 -39.86 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.054 0.454 . . . . 0.0 111.219 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.572 HH21 ' HG2' ' B' ' 644' ' ' GLU . 4.4 tmm_? -61.5 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.45 -46.65 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 33.2 mtt180 -62.22 -37.45 85.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.699 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.581 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -57.5 -44.98 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.772 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.416 ' HA ' HD21 ' B' ' 651' ' ' LEU . 6.0 tt0 -65.7 -34.43 78.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.16 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.298 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.04 -36.24 82.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.581 HG23 ' O ' ' C' ' 651' ' ' LEU . 25.1 t -66.45 -37.19 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.177 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.54 -43.32 97.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.52 -53.34 49.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.749 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.766 HG13 HD22 ' A' ' 662' ' ' LEU . 13.0 tt -66.01 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.678 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.532 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.64 -49.65 67.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . 0.649 ' HZ2' ' HA ' ' C' ' 660' ' ' LYS . 1.0 OUTLIER -62.53 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.299 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.746 HD22 HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -62.59 -32.73 73.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.463 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m -71.64 -25.08 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 20.7 pttt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.062 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 609' ' ' VAL . 29.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -39.14 74.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.94 75.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.05 90.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 605' ' ' SER . 38.6 t -64.36 -43.44 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.43 -42.5 99.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.173 0.511 . . . . 0.0 111.784 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.31 -39.63 92.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.445 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' B' ' 613' ' ' ARG . 0.4 OUTLIER -62.01 -51.06 69.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.088 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.634 ' HB2' HD21 ' C' ' 612' ' ' LEU . 10.4 tpp180 -57.79 -44.63 86.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.53 -37.89 87.87 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.602 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -45.08 72.42 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.156 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 612' ' ' LEU . 62.0 t -65.26 -36.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -49.39 71.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.337 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -41.04 96.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 623' ' ' ILE . 10.5 tp -64.81 -36.98 86.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.88 -37.82 80.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -37.98 84.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 619' ' ' LEU . 17.9 mt -67.67 -42.4 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.564 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.3 mp -60.04 -49.84 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.186 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.16 -32.22 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.22 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 52.6 m -73.02 -38.69 66.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.012 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.67 -35.11 74.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -64.93 -49.59 69.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.56 -36.22 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.49 -45.04 92.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.832 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 633' ' ' GLU . 0.9 OUTLIER -66.25 -30.86 71.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 634' ' ' ILE . 8.0 mttm -67.3 -43.32 81.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.71 86.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.028 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.458 ' HB3' HG21 ' B' ' 634' ' ' ILE . 29.2 mt-10 -57.11 -54.8 42.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.855 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.7 pp -63.34 -37.22 78.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 19.3 tptp -60.4 -46.4 90.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.426 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.88 88.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.1 mt -61.84 -39.61 92.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.781 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' C' ' 637' ' ' LEU . 7.1 mt -67.3 -40.85 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.172 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.04 -40.67 94.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -69.33 -44.55 71.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.5 OUTLIER -60.83 -37.95 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.805 179.562 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.2 -45.84 79.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.479 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.33 89.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.27 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 1.1 tt0 -60.3 -38.64 84.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.74 98.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 646' ' ' LYS . 0.3 OUTLIER -60.18 -52.78 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.6 tt -63.63 -39.25 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 121.068 0.461 . . . . 0.0 111.205 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.543 HH22 HD12 ' A' ' 649' ' ' LEU . 0.7 OUTLIER -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.032 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.543 HD12 HH22 ' A' ' 648' ' ' ARG . 0.3 OUTLIER -63.63 -45.23 91.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.768 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.35 -38.65 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 655' ' ' VAL . 34.0 tp -64.59 -41.45 96.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.692 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.601 ' HG2' HD22 ' C' ' 651' ' ' LEU . 0.5 OUTLIER -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.103 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -44.31 94.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 111.249 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.75 96.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 651' ' ' LEU . 86.1 t -63.04 -40.15 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.21 -36.84 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.59 -45.38 87.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.716 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.548 HD11 HG13 ' B' ' 655' ' ' VAL . 0.0 OUTLIER -66.3 -37.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.72 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 659' ' ' LYS . 1.2 mmtt -68.64 -39.8 80.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.08 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.89 -39.88 79.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.369 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.66 95.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.52 -33.35 60.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.536 ' O ' HG23 ' B' ' 609' ' ' VAL . 29.7 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -39.08 73.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.9 75.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.04 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.431 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 605' ' ' SER . 38.7 t -64.45 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.633 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.54 -42.4 99.5 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 111.821 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.35 -39.61 92.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.465 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' C' ' 613' ' ' ARG . 0.4 OUTLIER -61.98 -51.11 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.625 ' HB2' HD21 ' A' ' 612' ' ' LEU . 10.4 tpp180 -57.7 -44.68 86.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.079 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.45 -37.93 87.82 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.648 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -45.01 72.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.994 0.426 . . . . 0.0 111.171 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 612' ' ' LEU . 61.9 t -65.24 -36.26 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -64.6 -49.4 71.25 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.271 -179.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -41.08 96.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.753 ' HA ' HD12 ' B' ' 622' ' ' ILE . 10.5 tp -64.78 -36.97 86.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.86 -37.87 80.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -38.02 84.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' B' ' 619' ' ' LEU . 17.9 mt -67.66 -42.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 111.636 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.718 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.3 mp -60.08 -49.76 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.235 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.28 -32.08 72.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.4 m -73.11 -38.76 66.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.63 -35.12 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.95 -49.57 69.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.53 -36.16 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.58 -45.09 91.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 633' ' ' GLU . 0.9 OUTLIER -66.2 -30.87 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.503 ' O ' HG13 ' B' ' 634' ' ' ILE . 8.1 mttm -67.21 -43.4 82.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -43.73 86.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.017 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.441 ' HB3' HG21 ' C' ' 634' ' ' ILE . 29.2 mt-10 -57.11 -54.78 42.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.089 0.471 . . . . 0.0 111.886 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.7 pp -63.28 -37.21 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.062 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 19.4 tptp -60.44 -46.41 90.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.477 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -39.9 88.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.964 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.1 mt -61.9 -39.62 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.753 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.422 ' HA ' HD21 ' A' ' 637' ' ' LEU . 7.1 mt -67.19 -40.97 86.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.44 -44.37 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.02 0.438 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.42 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.5 OUTLIER -60.92 -37.97 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.742 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 -45.78 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.28 89.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.219 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.93 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.47 -42.72 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -52.66 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.276 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.69 -39.23 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 111.226 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.539 HH22 HD12 ' B' ' 649' ' ' LEU . 0.7 OUTLIER -61.59 -40.92 96.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.018 -179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.539 HD12 HH22 ' B' ' 648' ' ' ARG . 0.3 OUTLIER -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.773 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.39 -38.51 84.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.696 ' O ' HG23 ' B' ' 655' ' ' VAL . 34.1 tp -64.65 -41.38 96.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.771 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.611 ' HG2' HD22 ' A' ' 651' ' ' LEU . 0.5 OUTLIER -57.57 -48.52 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.21 95.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.31 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.435 ' O ' HG13 ' B' ' 658' ' ' ILE . 2.3 tt0 -61.88 -40.68 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.547 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.696 HG23 ' O ' ' B' ' 651' ' ' LEU . 86.0 t -63.04 -40.06 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.44 -36.73 83.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.48 -45.39 87.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.534 HD11 HG13 ' C' ' 655' ' ' VAL . 0.0 OUTLIER -66.37 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.668 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' B' ' 659' ' ' LYS . 1.2 mmtt -68.7 -39.76 80.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.784 0.326 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -44.02 69.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.92 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.279 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.57 -33.36 60.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.545 ' O ' HG23 ' C' ' 609' ' ' VAL . 29.4 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -39.17 74.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.93 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.99 90.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.451 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.545 HG23 ' O ' ' C' ' 605' ' ' SER . 38.7 t -64.49 -43.4 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.65 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.46 -42.48 99.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.19 0.519 . . . . 0.0 111.834 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.22 -39.71 93.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.634 HD21 ' HB2' ' A' ' 613' ' ' ARG . 0.4 OUTLIER -61.96 -51.05 69.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.637 ' HB2' HD21 ' B' ' 612' ' ' LEU . 10.5 tpp180 -57.8 -44.7 86.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 17.9 p -62.44 -37.88 87.57 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.703 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -45.0 72.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.206 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.459 HG23 ' O ' ' C' ' 612' ' ' LEU . 62.0 t -65.32 -36.27 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -64.54 -49.4 71.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -41.11 96.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.5 tp -64.7 -37.03 86.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.86 -37.84 80.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -37.95 84.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.611 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' C' ' 619' ' ' LEU . 17.9 mt -67.62 -42.39 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 111.625 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.735 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.3 mp -60.08 -49.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.2 -32.2 72.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.215 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 52.3 m -73.12 -38.58 66.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.969 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.73 -35.15 74.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.94 -49.52 70.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.059 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.53 -45.09 92.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' C' ' 633' ' ' GLU . 0.9 OUTLIER -66.22 -30.94 71.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.76 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.506 ' O ' HG13 ' C' ' 634' ' ' ILE . 8.0 mttm -67.21 -43.3 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -43.73 86.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.992 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.465 ' HB3' HG21 ' A' ' 634' ' ' ILE . 29.1 mt-10 -57.08 -54.85 42.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.864 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.506 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.7 pp -63.28 -37.22 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.084 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 19.4 tptp -60.34 -46.46 89.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.452 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.87 88.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.1 mt -61.83 -39.59 92.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' B' ' 637' ' ' LEU . 7.1 mt -67.31 -40.9 86.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 8.7 m -61.05 -40.61 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.51 -44.44 71.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -60.9 -37.98 84.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.76 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.1 -45.88 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.36 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.234 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 1.1 tt0 -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.69 98.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.78 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' C' ' 646' ' ' LYS . 0.3 OUTLIER -60.24 -52.7 64.16 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.21 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.74 -39.16 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.206 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.548 HH22 HD12 ' C' ' 649' ' ' LEU . 0.7 OUTLIER -61.62 -40.86 96.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.099 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.548 HD12 HH22 ' C' ' 648' ' ' ARG . 0.3 OUTLIER -63.63 -45.3 90.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.34 -38.55 84.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.688 ' O ' HG23 ' C' ' 655' ' ' VAL . 34.1 tp -64.65 -41.34 96.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.603 ' HG2' HD22 ' B' ' 651' ' ' LEU . 0.5 OUTLIER -57.6 -48.48 79.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.115 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -44.26 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.296 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.451 ' O ' HG13 ' C' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.71 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.555 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.688 HG23 ' O ' ' C' ' 651' ' ' LEU . 85.6 t -63.05 -40.11 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.191 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.37 -36.69 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.56 -45.39 87.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.544 HD11 HG13 ' A' ' 655' ' ' VAL . 0.0 OUTLIER -66.34 -37.88 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -68.69 -39.77 80.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -43.98 69.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.92 79.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.41 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -75.59 -33.33 60.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t -72.77 -35.62 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.641 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.2 -51.63 51.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.93 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.18 82.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.2 -40.07 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.64 -48.7 73.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.745 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.478 ' HB3' HH21 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -59.09 -39.79 83.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.453 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 616' ' ' VAL . 5.0 mt -63.83 -43.06 97.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.068 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.553 ' HA ' HD21 ' C' ' 612' ' ' LEU . 0.0 OUTLIER -62.38 -41.15 98.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.641 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -30.38 70.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 111.174 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.3 t -66.42 -47.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -62.8 -46.37 88.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 -179.755 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 622' ' ' ILE . 47.7 mt-10 -60.57 -35.8 76.94 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.976 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.561 ' HG ' ' HD2' ' B' ' 620' ' ' ARG . 0.2 OUTLIER -66.62 -45.54 78.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.555 ' HD2' ' HG ' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.09 -30.76 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 16.3 m -67.94 -39.57 83.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.721 HG13 ' O ' ' A' ' 618' ' ' GLU . 3.6 mt -67.47 -40.98 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.559 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 624' ' ' GLU . 0.4 OUTLIER -60.66 -45.49 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.235 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 623' ' ' ILE . 2.5 mt-10 -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.21 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -49.8 68.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.049 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.467 ' HE1' ' HB3' ' B' ' 626' ' ' MET . 3.8 ttm -62.15 -35.08 77.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 5.0 tttp -65.0 -46.91 79.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 -42.93 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.598 ' HG3' HH22 ' A' ' 632' ' ' ARG . 1.5 mt-30 -66.17 -33.24 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.466 HE21 ' HG2' ' A' ' 631' ' ' LYS . 1.2 tt0 -69.19 -48.84 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 6.7 mmtt -63.92 -46.65 83.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . 0.598 HH22 ' HG3' ' A' ' 629' ' ' GLN . 1.5 ttp-105 -63.77 -45.22 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.948 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 629' ' ' GLN . 4.3 mt-10 -60.9 -49.23 78.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 111.911 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.869 ' HA ' HD12 ' A' ' 637' ' ' LEU . 1.0 OUTLIER -65.96 -32.37 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.108 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -64.08 -41.78 97.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.402 -179.525 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.64 -45.72 88.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.012 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 634' ' ' ILE . 1.8 mt -60.45 -41.26 93.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.414 HD12 HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.95 -42.39 99.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 644' ' ' GLU . 1.4 tt0 -64.27 -37.75 88.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.596 ' HG ' HD21 ' B' ' 641' ' ' LEU . 40.9 mt -62.21 -43.79 98.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.826 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.74 -39.08 93.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.435 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.562 ' OE1' ' HA ' ' A' ' 640' ' ' GLU . 8.0 mt-10 -65.53 -41.29 93.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.242 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.733 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 11.8 mt-10 -62.71 -37.47 86.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.826 ' O ' HD12 ' A' ' 649' ' ' LEU . 0.0 OUTLIER -65.28 -44.06 89.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.72 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.538 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 5.7 mmtp -62.09 -47.05 86.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.2 mt -65.49 -41.05 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.092 0.472 . . . . 0.0 111.21 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.516 HH22 ' HE3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -65.42 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.02 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -64.27 -46.2 84.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.721 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.538 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.683 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -64.08 -44.32 92.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.757 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' C' ' 651' ' ' LEU . 1.7 tt0 -66.44 -32.11 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.175 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -38.87 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.591 ' HB3' HG11 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -64.3 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.502 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' C' ' 654' ' ' GLU . 36.4 t -64.3 -41.42 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 111.148 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.11 -37.8 86.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . 0.524 ' HA ' ' HE3' ' A' ' 660' ' ' LYS . 0.4 OUTLIER -66.91 -42.57 85.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.751 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.546 HG21 HG21 ' C' ' 658' ' ' ILE . 16.3 mt -69.23 -33.58 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.666 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.6 -43.06 85.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.754 0.311 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 657' ' ' ASP . 45.9 mtmt -57.81 -53.63 56.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.08 -37.78 84.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.336 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.31 -32.15 73.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -31.0 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -51.64 51.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.89 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.12 82.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.468 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.21 -40.07 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.56 -48.74 73.89 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 111.767 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.466 ' HB3' HH21 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -58.97 -39.93 83.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.439 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.594 ' O ' HG23 ' B' ' 616' ' ' VAL . 5.0 mt -63.8 -43.04 97.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 111.16 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.551 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.0 OUTLIER -62.39 -41.1 98.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.045 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.17 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.669 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -30.54 70.61 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.108 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 612' ' ' LEU . 42.3 t -66.38 -47.52 83.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.225 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HA ' ' HD2' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -62.75 -46.37 88.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.35 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.712 ' O ' HG13 ' B' ' 622' ' ' ILE . 47.7 mt-10 -60.51 -35.85 76.97 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.549 ' HG ' ' HD2' ' C' ' 620' ' ' ARG . 0.2 OUTLIER -66.6 -45.49 79.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.561 ' HD2' ' HG ' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.14 -30.68 71.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 16.3 m -67.89 -39.62 83.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.712 HG13 ' O ' ' B' ' 618' ' ' GLU . 3.6 mt -67.42 -41.02 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.582 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 624' ' ' GLU . 0.5 OUTLIER -60.7 -45.45 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.215 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' B' ' 623' ' ' ILE . 2.5 mt-10 -61.46 -41.0 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.261 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.008 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.467 ' HB3' ' HE1' ' A' ' 626' ' ' MET . 3.8 ttm -62.22 -35.01 77.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.435 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 5.0 tttp -65.06 -46.98 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.84 -42.9 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.608 ' HG3' HH22 ' B' ' 632' ' ' ARG . 1.5 mt-30 -66.26 -33.19 75.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.47 HE21 ' HG2' ' B' ' 631' ' ' LYS . 1.2 tt0 -69.21 -48.8 61.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.543 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 6.7 mmtt -64.02 -46.65 83.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.608 HH22 ' HG3' ' B' ' 629' ' ' GLN . 1.5 ttp-105 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.945 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' B' ' 629' ' ' GLN . 4.3 mt-10 -60.92 -49.25 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.052 0.453 . . . . 0.0 111.871 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.861 ' HA ' HD12 ' B' ' 637' ' ' LEU . 1.0 OUTLIER -65.99 -32.33 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.077 179.261 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -64.09 -41.74 97.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.443 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.69 -45.68 88.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' B' ' 634' ' ' ILE . 1.8 mt -60.51 -41.22 93.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.403 HD12 HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 45.2 m -62.96 -42.42 99.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' B' ' 644' ' ' GLU . 1.4 tt0 -64.27 -37.72 88.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.596 HD21 ' HG ' ' A' ' 641' ' ' LEU . 41.1 mt -62.16 -43.83 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.817 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.74 -38.97 93.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.514 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' B' ' 640' ' ' GLU . 8.0 mt-10 -65.69 -41.25 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.188 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.743 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 11.8 mt-10 -62.66 -37.46 86.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.828 ' O ' HD12 ' B' ' 649' ' ' LEU . 0.0 OUTLIER -65.33 -44.05 89.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.698 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.556 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 5.7 mmtp -62.14 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.59 -40.94 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.104 0.478 . . . . 0.0 111.234 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.515 HH22 ' HE3' ' B' ' 645' ' ' LYS . 0.1 OUTLIER -65.52 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 -179.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.828 HD12 ' O ' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -64.27 -46.29 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.556 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -65.25 -32.35 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.716 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -64.08 -44.26 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.735 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.441 ' HA ' HD21 ' A' ' 651' ' ' LEU . 1.7 tt0 -66.49 -32.13 73.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.114 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -38.88 82.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.335 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.62 ' HB3' HG11 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -64.32 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.486 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 654' ' ' GLU . 36.8 t -64.3 -41.47 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.99 -37.89 86.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . 0.51 ' HA ' ' HE3' ' B' ' 660' ' ' LYS . 0.4 OUTLIER -66.84 -42.62 85.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.76 179.6 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.544 HG21 HG21 ' A' ' 658' ' ' ILE . 16.2 mt -69.22 -33.58 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.702 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.57 -43.02 86.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.786 0.327 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' B' ' 657' ' ' ASP . 45.9 mtmt -57.89 -53.64 55.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.76 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.344 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.16 73.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.738 0.304 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -51.67 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.9 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.07 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.428 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.22 -40.06 85.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.6 -48.68 74.0 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.207 0.527 . . . . 0.0 111.814 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.472 ' HB3' HH21 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -59.13 -39.76 83.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 179.437 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.596 ' O ' HG23 ' C' ' 616' ' ' VAL . 5.0 mt -63.88 -43.06 97.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.566 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -62.34 -41.17 98.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.041 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -46.27 90.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.629 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -30.4 70.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.596 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.3 t -66.45 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -62.81 -46.35 88.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.376 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.703 ' O ' HG13 ' C' ' 622' ' ' ILE . 47.7 mt-10 -60.53 -35.88 77.05 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.555 ' HG ' ' HD2' ' A' ' 620' ' ' ARG . 0.2 OUTLIER -66.52 -45.55 79.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.549 ' HD2' ' HG ' ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.1 -30.77 71.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 16.3 m -67.9 -39.55 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.604 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.703 HG13 ' O ' ' C' ' 618' ' ' GLU . 3.5 mt -67.52 -40.96 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.582 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' C' ' 624' ' ' GLU . 0.4 OUTLIER -60.7 -45.43 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.203 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' C' ' 623' ' ' ILE . 2.5 mt-10 -61.54 -40.94 96.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -49.76 68.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.037 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.467 ' HB3' ' HE1' ' B' ' 626' ' ' MET . 3.8 ttm -62.17 -35.08 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 5.0 tttp -65.05 -46.91 79.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.87 -42.96 84.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.601 ' HG3' HH22 ' C' ' 632' ' ' ARG . 1.5 mt-30 -66.17 -33.17 75.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.461 HE21 ' HG2' ' C' ' 631' ' ' LYS . 1.2 tt0 -69.27 -48.81 60.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 6.7 mmtt -63.94 -46.69 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . 0.601 HH22 ' HG3' ' C' ' 629' ' ' GLN . 1.4 ttp-105 -63.69 -45.19 91.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.035 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.586 ' HB2' ' O ' ' C' ' 629' ' ' GLN . 4.3 mt-10 -60.93 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.836 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.875 ' HA ' HD12 ' C' ' 637' ' ' LEU . 1.0 OUTLIER -65.98 -32.32 57.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.087 179.251 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -64.14 -41.65 97.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -63.7 -45.75 88.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.013 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' C' ' 634' ' ' ILE . 1.8 mt -60.38 -41.24 93.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.795 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.418 HD12 HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -62.02 -42.56 99.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.88 -42.51 99.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' C' ' 644' ' ' GLU . 1.4 tt0 -64.25 -37.66 88.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.592 ' HG ' HD21 ' A' ' 641' ' ' LEU . 41.0 mt -62.22 -43.87 97.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.774 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.75 -38.95 93.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.486 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.574 ' OE1' ' HA ' ' C' ' 640' ' ' GLU . 8.0 mt-10 -65.63 -41.26 92.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.19 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.749 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 11.8 mt-10 -62.7 -37.54 86.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.81 ' O ' HD12 ' C' ' 649' ' ' LEU . 0.0 OUTLIER -65.24 -44.11 89.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.668 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.547 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 5.6 mmtp -62.06 -47.07 86.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 48.4 mt -65.57 -40.95 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.138 0.494 . . . . 0.0 111.221 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.522 HH22 ' HE3' ' C' ' 645' ' ' LYS . 0.1 OUTLIER -65.46 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.065 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.81 HD12 ' O ' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -64.26 -46.28 84.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.714 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.547 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -65.31 -32.31 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.688 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -64.06 -44.32 92.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.445 ' HA ' HD21 ' B' ' 651' ' ' LEU . 1.7 tt0 -66.45 -32.07 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.177 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -38.83 82.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.38 . . . . 0.0 111.334 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.617 ' HB3' HG11 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -64.28 -38.59 91.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.456 179.589 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' B' ' 654' ' ' GLU . 36.8 t -64.26 -41.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.186 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.12 -37.82 86.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . 0.513 ' HA ' ' HE3' ' C' ' 660' ' ' LYS . 0.4 OUTLIER -66.86 -42.7 85.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.546 HG21 HG21 ' A' ' 658' ' ' ILE . 16.1 mt -69.14 -33.68 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.5 -43.09 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' C' ' 657' ' ' ASP . 45.9 mtmt -57.87 -53.59 56.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . 0.602 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -67.09 -37.81 84.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.04 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.791 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -43.86 52.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.405 ' HA ' HE21 ' B' ' 606' ' ' GLN . 9.3 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.779 0.323 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' C' ' 605' ' ' SER . 2.8 mm-40 -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.55 97.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.6 82.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.479 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' C' ' 612' ' ' LEU . 0.2 OUTLIER -64.42 -34.89 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.06 -53.21 58.76 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 111.799 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.27 -40.73 74.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.397 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 616' ' ' VAL . 72.5 mt -63.06 -40.42 97.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 613' ' ' ARG . 15.7 ttm-85 -59.05 -40.84 86.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -46.51 81.48 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -67.39 -33.04 74.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 111.137 -179.452 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.0 t -63.3 -48.89 85.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -42.75 87.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.317 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -65.4 -35.38 80.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.656 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -64.91 -40.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.669 ' HA ' HD12 ' A' ' 623' ' ' ILE . 17.2 ttt180 -66.48 -40.29 89.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 10.1 t -63.78 -30.54 71.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.626 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 619' ' ' LEU . 58.5 mt -67.62 -45.73 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.0 mt -66.19 -39.29 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.217 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.32 -47.18 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.957 0.408 . . . . 0.0 111.282 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.54 -50.58 66.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.011 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.521 ' SD ' HG22 ' B' ' 623' ' ' ILE . 14.3 mtt -56.86 -40.25 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.575 ' HA ' HE22 ' C' ' 630' ' ' GLN . 4.4 tmtm? -62.99 -45.55 91.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -37.53 81.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.048 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.484 ' HG3' ' NZ ' ' B' ' 631' ' ' LYS . 36.9 tp60 -67.96 -50.09 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.571 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.6 OUTLIER -60.81 -36.95 80.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.537 ' HZ1' ' HG3' ' C' ' 629' ' ' GLN . 6.4 mmtt -65.85 -39.71 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -61.69 -35.44 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.95 179.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' B' ' 634' ' ' ILE . 28.8 mt-10 -73.07 -38.68 66.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.043 0.449 . . . . 0.0 111.884 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.42 HG21 ' HB3' ' C' ' 633' ' ' GLU . 65.6 mt -64.62 -41.99 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 631' ' ' LYS . 0.5 OUTLIER -60.33 -48.07 83.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.463 -179.56 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 636' ' ' GLN . 0.0 OUTLIER -61.03 -40.96 95.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.7 OUTLIER -59.5 -43.5 93.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 179.627 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 5.3 mt -66.14 -41.83 89.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.147 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.074 0.464 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.438 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.44 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.752 179.577 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.12 -39.92 91.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.487 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.91 -43.62 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.267 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.72 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -68.19 -37.43 80.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.917 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.705 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.8 mttm -60.93 -42.86 98.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.691 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.563 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -63.21 -48.71 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 -179.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 34.1 mt -62.07 -34.72 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 111.229 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.462 ' HE ' ' HG2' ' C' ' 644' ' ' GLU . 4.2 tmm_? -66.38 -49.67 66.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.404 ' HG ' HH12 ' A' ' 648' ' ' ARG . 5.1 mt -56.47 -46.4 80.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.3 79.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.4 OUTLIER -61.99 -49.72 74.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.733 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.501 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.3 tt0 -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.15 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.23 -45.04 96.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' A' ' 658' ' ' ILE . 53.9 t -60.9 -39.36 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.69 -36.13 79.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -50.74 38.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.7 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.708 HG13 HD22 ' B' ' 662' ' ' LEU . 4.8 tt -63.29 -40.03 87.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.686 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.495 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 13.2 tttt -65.97 -44.03 86.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -48.01 80.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.06 81.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.695 HD22 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.56 -37.45 86.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.557 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -33.81 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.431 ' HA ' HE21 ' C' ' 606' ' ' GLN . 9.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 605' ' ' SER . 2.8 mm-40 -67.1 -35.42 79.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.53 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.64 82.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.465 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 612' ' ' LEU . 0.2 OUTLIER -64.41 -34.97 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.22 58.59 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.144 0.497 . . . . 0.0 111.745 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.2 -40.68 74.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 616' ' ' VAL . 72.4 mt -63.17 -40.33 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -59.11 -40.78 86.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -46.47 81.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.634 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -67.42 -32.94 74.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 111.119 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 612' ' ' LEU . 41.7 t -63.36 -48.9 85.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -42.82 87.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.434 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.3 OUTLIER -65.37 -35.39 80.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.704 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -64.82 -40.42 95.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.671 ' HA ' HD12 ' B' ' 623' ' ' ILE . 17.2 ttt180 -66.5 -40.25 89.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.93 -30.37 71.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' B' ' 619' ' ' LEU . 58.3 mt -67.74 -45.65 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.625 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.0 mt -66.2 -39.34 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.22 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.31 -47.21 87.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.238 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.52 -50.54 66.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.027 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.514 ' SD ' HG22 ' C' ' 623' ' ' ILE . 14.3 mtt -56.94 -40.19 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.571 ' HA ' HE22 ' A' ' 630' ' ' GLN . 4.5 tmtm? -63.05 -45.51 91.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.95 -37.49 81.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.57 ' HG3' ' HZ1' ' C' ' 631' ' ' LYS . 36.9 tp60 -68.02 -50.16 57.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.572 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.6 OUTLIER -60.71 -36.96 80.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.484 ' NZ ' ' HG3' ' A' ' 629' ' ' GLN . 6.3 mmtt -65.91 -39.67 90.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -61.75 -35.35 77.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.947 179.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' C' ' 634' ' ' ILE . 28.7 mt-10 -73.17 -38.6 66.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 111.865 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 633' ' ' GLU . 65.6 mt -64.67 -41.96 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.07 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.449 -179.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' B' ' 636' ' ' GLN . 0.0 OUTLIER -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.7 OUTLIER -59.6 -43.47 93.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 5.3 mt -66.13 -41.83 89.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 111.132 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.26 -42.09 99.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.49 89.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.763 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.09 -39.9 91.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.543 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.408 ' O ' HG13 ' B' ' 647' ' ' ILE . 42.1 mm-40 -65.81 -43.7 87.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.282 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.721 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -68.25 -37.46 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.72 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.8 mttm -60.81 -42.88 98.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -63.25 -48.66 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.627 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 643' ' ' GLU . 34.2 mt -62.16 -34.67 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.093 0.473 . . . . 0.0 111.211 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.453 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 4.2 tmm_? -66.43 -49.64 66.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.403 ' HG ' HH12 ' B' ' 648' ' ' ARG . 5.2 mt -56.47 -46.46 80.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.726 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.54 -35.34 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.4 OUTLIER -62.06 -49.65 75.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.714 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.3 tt0 -58.69 -37.5 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.14 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -40.23 93.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.246 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.2 -45.11 95.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.451 ' HA ' HG22 ' B' ' 658' ' ' ILE . 53.9 t -60.92 -39.31 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.156 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.62 -36.23 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -50.71 38.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.696 HG13 HD22 ' C' ' 662' ' ' LEU . 4.8 tt -63.28 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.512 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 13.1 tttt -65.94 -44.06 86.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -48.01 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.708 HD22 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -65.49 -37.5 87.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 179.517 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -33.85 49.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.995 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.415 ' HA ' HE21 ' A' ' 606' ' ' GLN . 9.3 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.75 0.309 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' B' ' 605' ' ' SER . 2.8 mm-40 -67.1 -35.38 79.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.48 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.68 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.425 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' B' ' 612' ' ' LEU . 0.2 OUTLIER -64.52 -34.89 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 -179.425 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.24 58.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 111.768 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.17 -40.76 74.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.426 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.608 ' O ' HG23 ' C' ' 616' ' ' VAL . 72.7 mt -63.07 -40.44 97.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.116 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' C' ' 613' ' ' ARG . 15.8 ttm-85 -59.02 -40.82 86.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.066 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -46.58 80.96 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.588 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -67.24 -33.03 74.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.52 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.608 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.0 t -63.29 -48.87 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -42.87 87.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.338 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.431 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.3 OUTLIER -65.41 -35.28 80.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.698 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -65.01 -40.23 94.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.666 ' HA ' HD12 ' C' ' 623' ' ' ILE . 17.2 ttt180 -66.59 -40.24 88.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.88 -30.39 71.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.653 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' C' ' 619' ' ' LEU . 58.4 mt -67.69 -45.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.0 mt -66.21 -39.29 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.2 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.37 -47.09 87.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.243 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.63 -50.48 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 623' ' ' ILE . 14.3 mtt -57.03 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.572 ' HA ' HE22 ' B' ' 630' ' ' GLN . 4.4 tmtm? -63.03 -45.52 91.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.89 -37.6 81.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.537 ' HG3' ' HZ1' ' A' ' 631' ' ' LYS . 37.0 tp60 -67.93 -50.12 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.575 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.6 OUTLIER -60.84 -36.87 80.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.983 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.57 ' HZ1' ' HG3' ' B' ' 629' ' ' GLN . 6.4 mmtt -65.89 -39.76 90.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -61.65 -35.43 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.42 ' HB3' HG21 ' A' ' 634' ' ' ILE . 28.8 mt-10 -73.07 -38.67 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.02 0.438 . . . . 0.0 111.871 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' B' ' 633' ' ' GLU . 65.5 mt -64.63 -41.94 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.109 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' C' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.425 -179.513 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' C' ' 636' ' ' GLN . 0.0 OUTLIER -61.07 -40.87 95.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.7 OUTLIER -59.55 -43.47 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 5.3 mt -66.21 -41.75 89.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 12.8 p -61.86 -38.44 88.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.28 -42.01 98.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.429 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.44 -38.44 89.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.13 -39.87 91.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.517 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.402 ' O ' HG13 ' C' ' 647' ' ' ILE . 42.0 mm-40 -65.98 -43.55 87.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.251 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.705 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -68.28 -37.5 80.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.813 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.721 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.8 mttm -60.78 -42.84 98.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.742 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.558 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -63.27 -48.69 77.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.25 -179.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.402 HG13 ' O ' ' C' ' 643' ' ' GLU . 34.3 mt -62.02 -34.79 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.052 0.453 . . . . 0.0 111.193 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.447 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 4.2 tmm_? -66.4 -49.58 66.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.064 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.416 ' HG ' HH12 ' C' ' 648' ' ' ARG . 5.1 mt -56.59 -46.28 80.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.35 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.05 -49.64 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.51 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.3 tt0 -58.79 -37.48 76.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -40.19 93.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.18 -45.15 95.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.49 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.452 ' HA ' HG22 ' C' ' 658' ' ' ILE . 53.7 t -60.84 -39.42 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -61.58 -36.19 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -50.78 38.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.736 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.695 HG13 HD22 ' A' ' 662' ' ' LEU . 4.8 tt -63.22 -40.05 87.57 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.69 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.513 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 13.2 tttt -65.94 -44.11 86.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.98 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.696 HD22 HG13 ' B' ' 658' ' ' ILE . 0.2 OUTLIER -65.53 -37.45 86.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -33.82 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 19.6 m -65.56 -44.76 85.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.451 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 609' ' ' VAL . 15.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -64.2 -33.69 76.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.58 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.49 92.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.367 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 605' ' ' SER . 4.0 t -63.2 -37.27 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.72 -41.0 98.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.175 0.512 . . . . 0.0 111.826 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.47 -38.95 93.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.425 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 616' ' ' VAL . 28.5 mt -64.75 -38.67 91.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 0.0 111.086 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.48 -39.15 89.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.005 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -45.99 88.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.621 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 619' ' ' LEU . 28.5 tt0 -71.78 -34.57 69.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.999 0.428 . . . . 0.0 111.14 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 612' ' ' LEU . 89.8 t -65.66 -48.34 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -49.38 72.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.328 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.99 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.5 ' CD1' ' HG2' ' A' ' 615' ' ' GLN . 0.0 OUTLIER -57.5 -43.42 84.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.042 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 624' ' ' GLU . 0.6 OUTLIER -60.63 -35.32 75.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . 0.684 ' O ' HG23 ' A' ' 625' ' ' THR . 9.3 t -68.12 -29.6 68.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.56 -34.78 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.623 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.494 HD11 HD23 ' C' ' 619' ' ' LEU . 2.0 mt -68.73 -43.05 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 6.7 mm-40 -67.17 -38.22 85.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 621' ' ' SER . 80.3 p -67.5 -53.21 30.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.488 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 26.9 mtt -61.19 -38.05 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.7 OUTLIER -60.52 -43.45 97.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.032 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.92 -45.17 90.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.75 -40.21 75.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.809 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.56 70.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 10.1 mmtm -67.23 -36.91 82.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -46.72 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.006 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' B' ' 634' ' ' ILE . 20.9 mt-10 -64.95 -36.9 85.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 111.918 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' C' ' 633' ' ' GLU . 40.4 mt -66.32 -43.67 91.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.065 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -43.1 95.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.431 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 638' ' ' LEU . 0.5 OUTLIER -62.5 -30.19 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.468 ' HA ' HD21 ' C' ' 637' ' ' LEU . 3.1 mt -68.4 -45.4 72.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -63.77 -36.87 85.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.445 ' OE2' HD22 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -64.18 -39.35 93.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.088 0.47 . . . . 0.0 110.872 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.51 -41.33 84.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.782 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.17 -34.85 79.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.468 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 639' ' ' SER . 41.1 mm-40 -61.94 -50.52 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.562 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 3.1 tt0 -64.44 -33.52 76.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.56 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.1 mttm -60.95 -45.56 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -62.03 -45.78 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.48 -39.43 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 121.103 0.478 . . . . 0.0 111.153 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.519 HH21 ' HA ' ' C' ' 644' ' ' GLU . 4.4 tmm_? -64.68 -40.8 96.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.041 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -47.77 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -63.19 -35.73 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.658 HD21 HG21 ' B' ' 655' ' ' VAL . 2.7 tt -60.04 -50.95 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.469 ' N ' HD11 ' C' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.1 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.141 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 54.8 mmm -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.39 -39.96 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.517 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.671 HG21 HD21 ' C' ' 651' ' ' LEU . 5.4 t -65.11 -38.84 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.247 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.411 HD22 ' HA ' ' A' ' 656' ' ' ASN . 11.0 m120 -66.65 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.02 -51.79 59.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.47 ' HB ' ' HE3' ' B' ' 659' ' ' LYS . 2.4 tt -64.57 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.671 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.485 ' HE3' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.23 -44.76 82.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.812 0.339 . . . . 0.0 111.042 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -49.21 78.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.91 71.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.369 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.447 HD13 HG13 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -68.77 -41.81 78.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.533 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.43 60.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 609' ' ' VAL . 14.9 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.76 0.314 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -64.14 -33.79 76.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.55 89.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.49 92.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.407 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 605' ' ' SER . 4.0 t -63.23 -37.19 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.88 -40.98 99.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.171 0.51 . . . . 0.0 111.754 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.33 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.476 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.834 ' O ' HG23 ' B' ' 616' ' ' VAL . 28.6 mt -64.79 -38.59 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 111.154 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 613' ' ' ARG . 13.7 ttm180 -61.6 -39.1 90.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.001 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -45.92 88.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.632 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' B' ' 619' ' ' LEU . 28.4 tt0 -71.79 -34.57 69.52 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 612' ' ' LEU . 90.1 t -65.65 -48.4 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -49.39 72.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.367 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -35.94 80.85 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.951 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' B' ' 615' ' ' GLN . 0.0 OUTLIER -57.56 -43.42 84.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' B' ' 624' ' ' GLU . 0.6 OUTLIER -60.6 -35.39 76.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . 0.69 ' O ' HG23 ' B' ' 625' ' ' THR . 9.2 t -68.08 -29.61 68.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.597 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.53 -34.81 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.606 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 619' ' ' LEU . 2.0 mt -68.67 -43.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 6.7 mm-40 -67.22 -38.24 84.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.223 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 621' ' ' SER . 79.6 p -67.4 -53.27 30.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.078 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.482 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 26.9 mtt -61.1 -38.15 85.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.488 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.7 OUTLIER -60.46 -43.44 96.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -63.82 -45.25 90.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -56.82 -40.17 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -37.54 70.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.973 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 10.2 mmtm -67.11 -36.95 83.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -46.73 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.914 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.413 ' HB3' HG21 ' C' ' 634' ' ' ILE . 20.9 mt-10 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.819 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.7 mt -66.22 -43.74 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.045 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -43.2 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.411 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.955 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' C' ' 638' ' ' LEU . 0.5 OUTLIER -62.61 -30.06 71.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.772 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.483 ' HA ' HD21 ' A' ' 637' ' ' LEU . 3.1 mt -68.46 -45.37 72.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -63.78 -36.87 85.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 179.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.447 ' OE2' HD22 ' C' ' 641' ' ' LEU . 1.0 OUTLIER -64.19 -39.36 93.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.666 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.46 -41.4 84.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.763 179.6 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.12 -34.96 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.441 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 639' ' ' SER . 41.1 mm-40 -61.92 -50.47 72.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.243 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.58 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 3.1 tt0 -64.55 -33.35 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.562 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.1 mttm -61.05 -45.54 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.712 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -61.99 -45.86 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.47 -39.37 85.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 111.192 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.516 HH21 ' HA ' ' A' ' 644' ' ' GLU . 4.3 tmm_? -64.69 -40.86 96.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -47.94 83.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.05 -35.81 81.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.665 HD21 HG21 ' C' ' 655' ' ' VAL . 2.7 tt -60.02 -50.97 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.738 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.474 ' N ' HD11 ' A' ' 651' ' ' LEU . 1.6 tt0 -57.65 -37.05 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 55.1 mmm -64.91 -34.72 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 111.308 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.4 -39.98 85.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.468 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 651' ' ' LEU . 5.5 t -65.16 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . 0.402 ' HA ' HD22 ' B' ' 656' ' ' ASN . 10.9 m120 -66.67 -35.2 79.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.06 -51.77 59.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.484 ' HB ' ' HE3' ' C' ' 659' ' ' LYS . 2.4 tt -64.61 -29.35 47.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.664 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.47 ' HE3' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.2 -44.79 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -49.31 78.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.87 71.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.373 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.457 HD13 HG13 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -68.8 -41.79 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -28.5 59.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.541 ' O ' HG23 ' C' ' 609' ' ' VAL . 15.0 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.756 0.312 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -64.18 -33.84 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.57 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.35 91.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.421 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.541 HG23 ' O ' ' C' ' 605' ' ' SER . 4.0 t -63.24 -37.28 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.76 -41.01 99.02 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.175 0.512 . . . . 0.0 111.793 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.45 -38.92 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.398 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.848 ' O ' HG23 ' C' ' 616' ' ' VAL . 28.7 mt -64.75 -38.62 91.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.198 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' C' ' 613' ' ' ARG . 13.6 ttm180 -61.51 -39.18 90.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.89 89.11 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.684 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.503 ' HG2' ' CD1' ' C' ' 619' ' ' LEU . 28.5 tt0 -71.84 -34.49 69.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.97 0.414 . . . . 0.0 111.166 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.848 HG23 ' O ' ' C' ' 612' ' ' LEU . 89.3 t -65.76 -48.29 82.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -36.01 80.8 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.023 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.503 ' CD1' ' HG2' ' C' ' 615' ' ' GLN . 0.0 OUTLIER -57.57 -43.43 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' C' ' 624' ' ' GLU . 0.6 OUTLIER -60.54 -35.35 75.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.031 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . 0.698 ' O ' HG23 ' C' ' 625' ' ' THR . 9.3 t -68.13 -29.62 68.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.593 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.51 -34.77 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.696 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 2.1 mt -68.73 -43.04 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 6.7 mm-40 -67.19 -38.14 84.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . 0.698 HG23 ' O ' ' C' ' 621' ' ' SER . 80.4 p -67.53 -53.33 29.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.477 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 26.9 mtt -61.09 -38.07 84.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.8 OUTLIER -60.52 -43.48 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -63.83 -45.25 90.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -56.78 -40.19 75.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.781 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -37.58 71.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 10.1 mmtm -67.16 -36.93 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -46.74 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.424 ' HB3' HG21 ' A' ' 634' ' ' ILE . 20.9 mt-10 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.051 0.453 . . . . 0.0 111.864 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.6 mt -66.25 -43.76 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.055 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -43.28 95.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.417 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -42.74 99.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 638' ' ' LEU . 0.5 OUTLIER -62.55 -30.16 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.714 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 637' ' ' LEU . 3.1 mt -68.44 -45.4 72.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.109 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -63.73 -36.85 85.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.75 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.452 ' OE2' HD22 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -64.16 -39.42 93.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.666 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -67.4 -41.36 85.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.829 179.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.2 -34.88 79.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.453 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' C' ' 639' ' ' SER . 41.0 mm-40 -61.91 -50.55 71.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.206 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.56 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 3.1 tt0 -64.5 -33.43 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.58 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.1 mttm -60.98 -45.52 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.505 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -62.0 -45.84 91.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.46 -39.36 85.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 111.216 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.526 HH21 ' HA ' ' B' ' 644' ' ' GLU . 4.3 tmm_? -64.67 -40.78 96.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -47.88 84.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -63.17 -35.79 81.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.671 HD21 HG21 ' A' ' 655' ' ' VAL . 2.7 tt -59.99 -50.97 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.468 ' N ' HD11 ' B' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.04 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.174 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 54.6 mmm -64.99 -34.7 79.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.47 -39.83 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.665 HG21 HD21 ' B' ' 651' ' ' LEU . 5.5 t -65.25 -38.82 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' C' ' 656' ' ' ASN . 10.9 m120 -66.65 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.97 -51.92 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.485 ' HB ' ' HE3' ' A' ' 659' ' ' LYS . 2.4 tt -64.53 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.681 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.484 ' HE3' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.15 -44.75 83.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.057 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -49.21 78.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.88 71.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.445 HD13 HG13 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -68.84 -41.75 78.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.48 60.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.56 -27.89 68.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.075 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . 0.743 ' OE1' ' HA ' ' A' ' 606' ' ' GLN . 0.0 OUTLIER -69.93 -32.39 70.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.37 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.463 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 605' ' ' SER . 34.6 t -63.36 -41.2 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.56 -43.18 99.45 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.145 0.498 . . . . 0.0 111.811 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.97 -44.06 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.408 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' B' ' 613' ' ' ARG . 34.5 mt -63.84 -34.94 79.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.471 ' HG3' HD21 ' C' ' 612' ' ' LEU . 16.2 ttm-85 -62.45 -44.01 97.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -48.15 83.16 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.567 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.401 ' HG3' ' CZ ' ' B' ' 620' ' ' ARG . 2.1 tt0 -67.58 -38.14 83.63 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.977 0.417 . . . . 0.0 111.15 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 612' ' ' LEU . 11.0 t -61.48 -49.66 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.416 ' NH1' ' HG3' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -64.0 -46.36 84.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.362 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -30.49 71.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.994 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.516 ' HG ' ' HG3' ' B' ' 620' ' ' ARG . 0.0 OUTLIER -62.14 -48.75 78.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.037 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.931 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -63.41 -44.74 93.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -37.17 70.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.667 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.624 HG22 ' SD ' ' A' ' 626' ' ' MET . 56.3 mt -68.46 -40.88 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.554 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 620' ' ' ARG . 7.8 mt -61.67 -41.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.216 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 9.4 mm-40 -61.72 -42.51 99.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -44.42 96.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.976 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.624 ' SD ' HG22 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.429 ' HD3' HE22 ' C' ' 630' ' ' GLN . 5.3 tmtm? -65.45 -45.87 82.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.79 -27.1 60.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.7 65.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.442 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.66 -36.06 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.427 ' HD3' ' HA ' ' A' ' 631' ' ' LYS . 8.4 mmtt -62.93 -48.33 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -62.63 -37.05 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.025 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.54 -43.13 85.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.061 0.458 . . . . 0.0 111.89 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.502 HG23 HD12 ' C' ' 637' ' ' LEU . 55.4 mt -66.45 -32.93 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.078 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.848 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.1 -44.39 88.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.492 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -38.01 86.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.481 HD12 HG23 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -63.98 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 635' ' ' LYS . 2.2 mt -62.88 -48.73 77.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.6 -32.05 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.432 ' HB3' HD13 ' B' ' 641' ' ' LEU . 11.6 tt0 -68.27 -41.48 80.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 110.937 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.3 OUTLIER -66.34 -39.25 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.756 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.34 -46.67 89.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.509 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.26 -44.28 88.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.25 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.592 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 2.3 tt0 -70.33 -33.0 70.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.587 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 2.7 mttt -64.6 -46.91 80.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -45.04 95.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.44 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 121.079 0.466 . . . . 0.0 111.227 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.41 HH12 ' HG ' ' A' ' 649' ' ' LEU . 0.9 OUTLIER -68.1 -38.38 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.043 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.41 ' HG ' HH12 ' A' ' 648' ' ' ARG . 1.3 mt -63.94 -44.34 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.34 -28.74 68.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -63.7 -50.09 70.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.556 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.5 tt0 -60.83 -40.66 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.203 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 32.5 mmm -61.72 -39.04 90.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.331 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.469 ' O ' HG22 ' A' ' 658' ' ' ILE . 48.0 tt0 -66.11 -37.4 85.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.522 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.7 t -70.05 -38.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.162 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 656' ' ' ASN . 1.7 m120 -64.65 -42.34 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.06 -51.47 67.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 1.008 HG13 HD22 ' B' ' 662' ' ' LEU . 13.6 tt -65.8 -30.88 51.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.718 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.689 ' HA ' HD12 ' C' ' 658' ' ' ILE . 3.6 tttt -67.95 -40.31 83.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -37.73 88.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.431 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -70.93 -39.82 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.362 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 1.049 HD22 HG13 ' C' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -26.58 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.529 ' O ' HG23 ' B' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.796 0.331 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . 0.728 ' HA ' ' OE1' ' B' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.35 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.807 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.78 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.477 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 605' ' ' SER . 34.4 t -63.37 -41.15 91.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.58 -43.18 99.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.102 0.477 . . . . 0.0 111.793 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.519 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' C' ' 613' ' ' ARG . 34.5 mt -63.86 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.127 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.474 ' HG3' HD21 ' A' ' 612' ' ' LEU . 16.2 ttm-85 -62.44 -44.03 97.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -48.08 83.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.65 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.402 ' HG3' ' CZ ' ' C' ' 620' ' ' ARG . 2.1 tt0 -67.59 -38.1 83.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 612' ' ' LEU . 11.0 t -61.53 -49.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -64.1 -46.34 84.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.308 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -30.58 71.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.523 ' HG ' ' HG3' ' C' ' 620' ' ' ARG . 0.0 OUTLIER -62.13 -48.74 78.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.943 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -63.43 -44.75 93.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -37.28 70.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.639 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.626 HG22 ' SD ' ' B' ' 626' ' ' MET . 56.4 mt -68.4 -40.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.048 0.452 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' B' ' 620' ' ' ARG . 7.8 mt -61.65 -41.8 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 9.5 mm-40 -61.68 -42.48 98.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.266 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -44.34 97.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.017 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.626 ' SD ' HG22 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -69.16 -29.48 67.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.42 ' HD3' HE22 ' A' ' 630' ' ' GLN . 5.3 tmtm? -65.42 -45.91 82.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.77 -27.08 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.79 65.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.754 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.44 ' HB3' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -68.66 -35.94 77.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.054 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 8.4 mmtt -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.441 ' N ' ' HD2' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -62.66 -37.04 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.007 179.714 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.5 -43.11 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.057 0.456 . . . . 0.0 111.943 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.481 HG23 HD12 ' A' ' 637' ' ' LEU . 55.4 mt -66.44 -32.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.866 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.05 -44.48 88.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.461 -179.561 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -37.97 85.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.498 HD12 HG23 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -64.07 -38.71 92.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' B' ' 635' ' ' LYS . 2.2 mt -62.82 -48.76 77.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.54 -32.12 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.437 ' HB3' HD13 ' C' ' 641' ' ' LEU . 11.7 tt0 -68.36 -41.54 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.3 OUTLIER -66.2 -39.3 89.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.768 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.36 -46.65 89.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.499 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -44.31 88.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.269 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.611 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 2.3 tt0 -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.592 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 2.7 mttt -64.63 -46.94 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.09 95.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.42 -35.32 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 111.168 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.412 HH12 ' HG ' ' B' ' 649' ' ' LEU . 0.9 OUTLIER -68.12 -38.35 82.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.058 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.412 ' HG ' HH12 ' B' ' 648' ' ' ARG . 1.3 mt -64.04 -44.32 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.31 -28.79 68.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.693 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -63.58 -50.16 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.55 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.5 tt0 -60.86 -40.65 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 32.6 mmm -61.69 -39.08 90.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.358 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.482 ' O ' HG22 ' B' ' 658' ' ' ILE . 47.9 tt0 -66.07 -37.45 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.509 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.7 t -70.04 -38.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 111.162 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' B' ' 656' ' ' ASN . 1.7 m120 -64.56 -42.42 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.05 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 1.046 HG13 HD22 ' C' ' 662' ' ' LEU . 13.6 tt -65.76 -30.95 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.66 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 658' ' ' ILE . 3.6 tttt -67.9 -40.36 83.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.79 88.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -70.89 -39.79 72.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.332 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 1.008 HD22 HG13 ' A' ' 658' ' ' ILE . 2.3 tp -66.28 -33.63 76.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.61 35.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.521 ' O ' HG23 ' C' ' 609' ' ' VAL . 2.0 t . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.752 0.31 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . 0.733 ' HA ' ' OE1' ' C' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.37 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.75 79.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.435 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.521 HG23 ' O ' ' C' ' 605' ' ' SER . 34.5 t -63.42 -41.1 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.72 -43.04 99.82 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.147 0.499 . . . . 0.0 111.746 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 -43.9 91.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.433 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.471 HD21 ' HG3' ' A' ' 613' ' ' ARG . 34.4 mt -63.9 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.107 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.466 ' HG3' HD21 ' B' ' 612' ' ' LEU . 16.2 ttm-85 -62.48 -44.04 97.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.02 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -48.03 83.68 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.686 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.66 -38.09 83.29 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.109 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.435 HG23 ' O ' ' C' ' 612' ' ' LEU . 10.8 t -61.59 -49.56 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -64.06 -46.42 84.44 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.321 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.533 ' HG ' ' HG3' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -62.08 -48.81 78.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.923 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -63.42 -44.75 93.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.634 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.618 HG22 ' SD ' ' C' ' 626' ' ' MET . 56.0 mt -68.51 -40.83 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.61 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' C' ' 620' ' ' ARG . 7.8 mt -61.66 -41.87 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 9.6 mm-40 -61.7 -42.51 99.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.193 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -44.46 96.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.998 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.618 ' SD ' HG22 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -69.13 -29.48 67.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.433 ' HD3' HE22 ' B' ' 630' ' ' GLN . 5.3 tmtm? -65.5 -45.74 82.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.86 -27.09 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.016 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.75 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.773 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.442 ' HG2' ' HB3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -68.6 -36.05 78.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' C' ' 631' ' ' LYS . 8.4 mmtt -62.96 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -62.58 -37.12 84.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.974 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.55 -43.11 85.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.929 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.498 HG23 HD12 ' B' ' 637' ' ' LEU . 55.5 mt -66.34 -32.91 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.18 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.838 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.17 -44.47 88.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.51 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -38.0 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.502 HD12 HG23 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -64.06 -38.66 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' C' ' 635' ' ' LYS . 2.2 mt -62.86 -48.78 77.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 23.4 p -60.6 -32.02 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.426 ' HB3' HD13 ' A' ' 641' ' ' LEU . 11.6 tt0 -68.33 -41.53 80.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.3 OUTLIER -66.27 -39.2 89.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.818 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.42 -46.65 89.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.496 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.23 -44.3 88.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.277 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.587 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 2.3 tt0 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.611 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 2.7 mttt -64.71 -46.9 80.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.11 95.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.256 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 18.9 mt -65.42 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.059 0.457 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.409 HH12 ' HG ' ' C' ' 649' ' ' LEU . 0.9 OUTLIER -68.16 -38.3 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.044 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.409 ' HG ' HH12 ' C' ' 648' ' ' ARG . 1.3 mt -64.03 -44.37 92.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.28 -28.8 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.667 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.685 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -63.58 -50.14 70.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.767 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.561 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.6 tt0 -60.87 -40.66 93.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 32.6 mmm -61.7 -38.98 89.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.475 ' O ' HG22 ' C' ' 658' ' ' ILE . 48.0 tt0 -66.19 -37.31 85.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.536 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.685 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.7 t -70.09 -38.21 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.133 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . 0.496 HD22 ' HA ' ' C' ' 656' ' ' ASN . 1.7 m120 -64.64 -42.36 95.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.1 -51.46 67.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.785 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 1.049 HG13 HD22 ' A' ' 662' ' ' LEU . 13.5 tt -65.8 -30.97 51.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.614 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' B' ' 658' ' ' ILE . 3.6 tttt -67.88 -40.29 83.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -37.74 88.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 662' ' ' LEU . . . -70.89 -39.8 72.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 1.046 HD22 HG13 ' B' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -26.57 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -46.31 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.448 ' HB2' ' HG2' ' B' ' 606' ' ' GLN . 4.7 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.747 0.308 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . 0.425 ' HG2' ' HB2' ' C' ' 605' ' ' SER . 0.0 OUTLIER -68.47 -29.35 67.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.22 86.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . 0.424 ' HB1' HH21 ' B' ' 613' ' ' ARG . . . -65.99 -35.27 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.447 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 609' ' ' VAL . 0.4 OUTLIER -69.19 -35.65 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 -179.569 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.57 -42.18 95.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.218 0.532 . . . . 0.0 111.745 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -43.76 98.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.425 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' B' ' 613' ' ' ARG . 12.2 mt -63.89 -33.91 76.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 111.109 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.458 ' HG3' HD21 ' C' ' 612' ' ' LEU . 40.9 ttm-85 -60.47 -49.48 77.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -48.09 83.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.682 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.91 -45.81 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.56 -45.05 92.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.288 -179.736 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.446 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -64.91 -32.12 73.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.044 179.653 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.479 ' HB3' ' CD2' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.71 -47.49 80.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -64.06 -37.76 88.61 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 618' ' ' GLU . 75.7 mt -65.69 -44.05 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.615 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.9 mt -65.78 -43.69 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.201 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.5 80.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -42.34 93.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.055 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.53 -35.45 80.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -64.39 -45.86 85.84 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.21 -42.32 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.59 -38.9 89.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -41.14 65.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 10.4 mmtt -62.27 -43.02 99.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.19 85.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.044 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.729 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.5 mt-10 -65.47 -43.67 89.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.044 0.45 . . . . 0.0 111.956 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' C' ' 633' ' ' GLU . 7.1 mt -70.22 -40.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -46.09 89.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.471 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -41.15 99.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.712 HD12 HG23 ' B' ' 634' ' ' ILE . 0.8 OUTLIER -57.2 -40.73 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.633 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.4 mt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.33 -40.86 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -62.68 -47.17 84.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.021 0.439 . . . . 0.0 110.836 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.483 ' CB ' HD11 ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.77 81.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.799 179.581 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.482 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.67 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.57 95.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.24 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.503 ' HG2' ' HE ' ' B' ' 648' ' ' ARG . 1.3 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.05 -45.87 90.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.46 ' HG3' ' HD2' ' A' ' 650' ' ' ARG . 0.1 OUTLIER -65.38 -41.12 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.67 HG13 ' O ' ' A' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.105 0.479 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.492 ' HE ' ' HG2' ' C' ' 644' ' ' GLU . 3.1 tmm_? -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.099 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -50.58 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.46 ' HD2' ' HG3' ' A' ' 646' ' ' LYS . 3.4 mtp180 -62.65 -31.34 72.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.663 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' B' ' 652' ' ' GLN . 0.1 OUTLIER -62.72 -48.36 79.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.665 ' HB2' HD11 ' C' ' 651' ' ' LEU . 5.0 tt0 -60.85 -34.41 74.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mmm -68.98 -31.61 70.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 658' ' ' ILE . 57.2 tt0 -70.01 -39.78 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 651' ' ' LEU . 9.1 t -68.86 -39.11 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.75 -40.65 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 659' ' ' LYS . 5.8 tt -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.0 OUTLIER -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.85 83.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.66 88.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.35 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.434 HD13 HG13 ' C' ' 658' ' ' ILE . 1.1 tt -70.72 -18.31 62.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.62 30.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.45 ' HB2' ' HG2' ' C' ' 606' ' ' GLN . 4.7 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . 0.448 ' HG2' ' HB2' ' A' ' 605' ' ' SER . 0.0 OUTLIER -68.42 -29.45 68.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.32 87.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . 0.426 ' HB1' HH21 ' C' ' 613' ' ' ARG . . . -65.86 -35.32 80.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.491 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -35.62 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.64 -42.13 95.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.191 0.519 . . . . 0.0 111.811 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -43.73 98.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.468 HD21 ' HG3' ' C' ' 613' ' ' ARG . 12.1 mt -63.93 -33.89 76.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.085 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.458 ' HG3' HD21 ' A' ' 612' ' ' LEU . 40.9 ttm-85 -60.44 -49.53 77.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -48.1 83.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.692 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -41.85 93.62 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.92 -45.84 91.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.57 -44.93 92.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.392 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -65.02 -32.06 73.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.74 -47.45 81.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.714 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.8 OUTLIER -63.98 -37.84 88.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.841 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 618' ' ' GLU . 75.5 mt -65.66 -44.06 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.603 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.9 mt -65.79 -43.68 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.194 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.48 80.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.202 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.52 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.34 -45.89 85.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.11 -42.48 93.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.078 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.5 -38.84 88.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 10.4 mmtt -62.26 -43.0 99.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -65.72 -37.27 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.98 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.746 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.5 mt-10 -65.53 -43.71 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.083 0.468 . . . . 0.0 111.893 -179.006 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.729 HG21 ' HB3' ' A' ' 633' ' ' GLU . 7.1 mt -70.09 -40.39 78.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.114 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -46.09 89.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.465 -179.52 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -41.05 99.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.993 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.734 HD12 HG23 ' C' ' 634' ' ' ILE . 0.8 OUTLIER -57.31 -40.68 78.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.744 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.458 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.4 mt -63.11 -45.01 94.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.35 -40.82 87.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -62.75 -47.06 85.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.012 0.434 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.483 HD11 ' CB ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.75 81.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.801 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.51 98.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.5 -179.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.66 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.63 96.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.229 179.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.506 ' HG2' ' HE ' ' C' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.41 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.14 -45.78 90.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.754 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.459 ' HG3' ' HD2' ' B' ' 650' ' ' ARG . 0.1 OUTLIER -65.28 -41.21 94.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -179.708 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.079 0.466 . . . . 0.0 111.158 -179.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.503 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 3.1 tmm_? -64.61 -39.61 94.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.731 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.459 ' HD2' ' HG3' ' B' ' 646' ' ' LYS . 3.5 mtp180 -62.69 -31.28 72.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.639 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' C' ' 652' ' ' GLN . 0.1 OUTLIER -62.7 -48.42 79.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.65 ' HB2' HD11 ' A' ' 651' ' ' LEU . 4.9 tt0 -60.67 -34.53 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.229 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.8 mmm -69.06 -31.48 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.348 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.406 ' O ' HG22 ' B' ' 658' ' ' ILE . 57.2 tt0 -70.04 -39.78 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.469 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 651' ' ' LEU . 9.2 t -68.87 -39.11 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 111.153 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.74 -40.68 92.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -47.54 79.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.764 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' C' ' 659' ' ' LYS . 5.8 tt -66.77 -31.6 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.623 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.0 OUTLIER -64.6 -41.3 96.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.89 83.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.62 88.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 658' ' ' ILE . 1.1 tt -70.8 -18.2 62.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.607 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -19.63 30.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.425 ' HB2' ' HG2' ' A' ' 606' ' ' GLN . 4.7 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . 0.45 ' HG2' ' HB2' ' B' ' 605' ' ' SER . 0.0 OUTLIER -68.51 -29.32 67.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.89 -37.21 86.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . 0.415 ' HB1' HH21 ' A' ' 613' ' ' ARG . . . -65.95 -35.29 80.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.439 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.411 HG23 ' H ' ' C' ' 609' ' ' VAL . 0.4 OUTLIER -69.23 -35.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.546 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.68 -42.1 95.59 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 111.739 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.503 179.382 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 613' ' ' ARG . 12.2 mt -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.099 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.468 ' HG3' HD21 ' B' ' 612' ' ' LEU . 40.9 ttm-85 -60.52 -49.53 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.005 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -48.11 83.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.648 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.8 93.51 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.185 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.98 -45.83 91.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.5 -45.01 92.64 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.321 -179.761 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -64.97 -32.13 73.71 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.76 -47.49 80.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.756 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.695 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -63.96 -37.75 88.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.811 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -36.91 85.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.454 HG13 ' O ' ' C' ' 618' ' ' GLU . 75.6 mt -65.72 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.9 mt -65.85 -43.63 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.19 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.42 -46.41 80.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.273 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 19.9 mtt -64.54 -35.54 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.27 -45.88 86.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.24 -42.35 93.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.024 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.53 -38.87 88.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -41.25 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 10.4 mmtt -62.16 -43.05 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.993 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.5 mt-10 -65.46 -43.76 89.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.892 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.746 HG21 ' HB3' ' B' ' 633' ' ' GLU . 7.1 mt -70.14 -40.33 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.128 179.249 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -46.1 89.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.456 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -41.06 99.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.957 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.707 HD12 HG23 ' A' ' 634' ' ' ILE . 0.8 OUTLIER -57.27 -40.73 78.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.452 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.4 mt -63.04 -45.09 93.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.28 -40.91 87.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.66 -47.06 85.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.027 0.441 . . . . 0.0 110.96 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.08 -35.72 81.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.792 179.517 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -41.56 98.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.49 -179.344 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.67 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 mm-40 -64.51 -40.6 95.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.492 ' HG2' ' HE ' ' A' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.4 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.08 -45.86 90.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.445 ' HG3' ' HD2' ' C' ' 650' ' ' ARG . 0.1 OUTLIER -65.31 -41.17 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -179.68 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.67 HG13 ' O ' ' C' ' 643' ' ' GLU . 17.7 mt -65.1 -42.06 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.988 0.423 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.506 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 3.1 tmm_? -64.55 -39.73 94.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -50.64 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.445 ' HD2' ' HG3' ' C' ' 646' ' ' LYS . 3.4 mtp180 -62.73 -31.26 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.684 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 652' ' ' GLN . 0.1 OUTLIER -62.68 -48.38 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.795 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' B' ' 651' ' ' LEU . 4.9 tt0 -60.87 -34.39 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mmm -69.02 -31.64 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 111.336 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.411 ' O ' HG22 ' C' ' 658' ' ' ILE . 57.2 tt0 -69.92 -39.86 75.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 651' ' ' LEU . 9.1 t -68.77 -39.12 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.499 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.8 -40.6 92.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 179.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 659' ' ' LYS . 5.8 tt -66.69 -31.56 54.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.67 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.0 OUTLIER -64.63 -41.36 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -47.89 83.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.59 88.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.344 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.669 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.1 tt -70.76 -18.25 62.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.63 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.57 -34.78 40.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.669 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 609' ' ' VAL . 5.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.4 -44.59 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.48 94.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -58.5 -35.98 73.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.437 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.938 HG11 ' HB1' ' C' ' 608' ' ' ALA . 61.7 t -63.63 -39.41 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.53 76.01 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.213 0.53 . . . . 0.0 111.81 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 614' ' ' THR . 35.8 mt-10 -58.72 -39.69 81.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.417 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.89 74.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.815 0.341 . . . . 0.0 111.23 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.497 ' HG2' HD21 ' C' ' 612' ' ' LEU . 9.4 mmt180 -62.88 -47.14 84.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.042 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 611' ' ' GLU . 0.0 OUTLIER -68.14 -30.07 69.11 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.635 179.892 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.19 -46.83 69.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.175 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 619' ' ' LEU . 16.5 m -67.64 -41.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.31 -51.67 68.83 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.15 72.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 622' ' ' ILE . 8.8 mt -60.42 -38.8 85.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 623' ' ' ILE . 1.6 ttm105 -64.19 -34.61 78.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -31.74 65.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 619' ' ' LEU . 21.1 mt -64.24 -45.74 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.54 -179.578 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.5 mt -66.44 -38.48 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.208 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.28 -48.23 68.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.245 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p -61.87 -42.9 99.62 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.522 ' HB3' ' HG3' ' B' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.15 77.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.544 ' HZ1' ' HB3' ' C' ' 629' ' ' GLN . 0.2 OUTLIER -70.89 -37.09 72.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.876 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.45 -35.43 80.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.539 ' HB3' ' HZ1' ' B' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.71 69.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.458 HE21 ' HG2' ' B' ' 627' ' ' LYS . 1.5 tp-100 -61.03 -46.4 90.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.08 84.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.027 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.87 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.056 0.455 . . . . 0.0 111.887 -179.081 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.579 HG23 HD12 ' C' ' 637' ' ' LEU . 52.4 mt -58.31 -46.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.072 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -43.0 76.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.446 -179.482 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.58 -39.88 92.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.606 HD23 HD12 ' B' ' 641' ' ' LEU . 0.3 OUTLIER -63.2 -34.8 78.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.49 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 0.7 OUTLIER -71.2 -31.13 67.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.763 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.405 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 6.1 tt0 -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.819 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.588 HD12 HD23 ' C' ' 637' ' ' LEU . 0.5 OUTLIER -61.81 -44.58 96.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.705 179.608 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.72 -42.48 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.518 ' O ' HG13 ' A' ' 647' ' ' ILE . 85.3 mt-10 -61.18 -46.58 89.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.646 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 27.0 tt0 -66.25 -33.04 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.643 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 13.5 mmtt -64.02 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -62.93 -48.39 79.11 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -179.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 644' ' ' GLU . 2.1 mt -62.3 -38.76 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.115 0.483 . . . . 0.0 111.179 -179.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.52 HH11 ' HG3' ' C' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.35 96.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.066 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.746 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.2 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 655' ' ' VAL . 12.8 tp -63.3 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.788 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -44.46 96.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.17 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -39.29 90.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.312 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 658' ' ' ILE . 6.0 tt0 -64.03 -40.43 96.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.483 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 651' ' ' LEU . 73.8 t -64.39 -46.77 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 111.141 -179.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -56.19 -39.77 72.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.84 98.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 654' ' ' GLU . 8.5 mt -65.78 -45.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.697 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 663' ' ' GLN . 4.8 tttt -62.06 -44.55 96.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.98 -40.54 96.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.94 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.357 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.826 ' HG ' HD11 ' B' ' 662' ' ' LEU . 1.1 mt -76.71 -31.18 57.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 7.2 mm100 -86.04 -28.64 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.906 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.688 ' O ' HG23 ' B' ' 609' ' ' VAL . 5.8 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -60.44 -44.52 95.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.47 94.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . 0.939 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -58.5 -36.03 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' A' ' 608' ' ' ALA . 61.8 t -63.57 -39.36 85.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.679 -179.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.65 75.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 111.764 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.525 ' O ' HG23 ' B' ' 614' ' ' THR . 35.8 mt-10 -58.54 -39.73 81.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.5 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.594 ' HB3' ' HG ' ' A' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.95 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.49 ' HG2' HD21 ' A' ' 612' ' ' LEU . 9.4 mmt180 -62.92 -47.01 85.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.047 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . 0.525 HG23 ' O ' ' B' ' 611' ' ' GLU . 0.0 OUTLIER -68.2 -30.15 69.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.545 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.14 -46.82 69.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.001 0.429 . . . . 0.0 111.188 -179.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.574 ' HA ' HD12 ' B' ' 619' ' ' LEU . 16.4 m -67.63 -41.31 85.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.22 -51.76 68.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.6 -31.12 72.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.683 ' HA ' HD12 ' B' ' 622' ' ' ILE . 8.8 mt -60.45 -38.74 85.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.475 ' HA ' HD12 ' B' ' 623' ' ' ILE . 1.6 ttm105 -64.26 -34.53 78.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -31.7 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' B' ' 619' ' ' LEU . 21.0 mt -64.24 -45.66 95.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.5 mt -66.54 -38.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -48.24 68.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.8 -42.92 99.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.51 ' HB3' ' HG3' ' C' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.16 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.539 ' HZ1' ' HB3' ' A' ' 629' ' ' GLN . 0.2 OUTLIER -70.93 -37.11 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.46 -35.4 80.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.517 ' HB3' ' HZ1' ' C' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.74 68.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.46 HE21 ' HG2' ' C' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.47 90.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.05 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.51 90.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.94 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.8 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 111.846 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.591 HG23 HD12 ' A' ' 637' ' ' LEU . 52.5 mt -58.29 -47.04 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.128 179.246 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -43.02 76.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.428 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.91 92.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.591 HD12 HG23 ' C' ' 634' ' ' ILE . 0.3 OUTLIER -63.11 -34.88 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.612 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.487 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 0.7 OUTLIER -71.21 -31.12 67.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.712 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.409 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 6.1 tt0 -62.15 -41.79 98.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 637' ' ' LEU . 0.5 OUTLIER -61.71 -44.59 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.784 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.71 -42.53 97.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.487 -179.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.518 ' O ' HG13 ' B' ' 647' ' ' ILE . 85.3 mt-10 -61.27 -46.48 90.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.249 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.65 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 27.0 tt0 -66.3 -32.96 74.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.922 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.646 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 13.6 mmtt -64.06 -45.12 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -63.04 -48.25 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 644' ' ' GLU . 2.1 mt -62.3 -38.79 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 111.177 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.512 HH11 ' HG3' ' A' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.34 96.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.017 -179.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.04 -39.21 93.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -41.18 91.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.652 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.56 ' O ' HG23 ' B' ' 655' ' ' VAL . 12.7 tp -63.29 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.42 96.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.145 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -39.26 89.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.241 -179.653 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.628 ' O ' HG13 ' B' ' 658' ' ' ILE . 6.0 tt0 -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 651' ' ' LEU . 73.8 t -64.33 -46.67 92.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 111.196 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -56.34 -39.84 73.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.23 -43.83 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 654' ' ' GLU . 8.6 mt -65.88 -45.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.614 -179.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' B' ' 663' ' ' GLN . 4.8 tttt -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.85 -40.63 97.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.77 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.377 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.826 HD11 ' HG ' ' A' ' 662' ' ' LEU . 1.1 mt -76.78 -31.11 56.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 659' ' ' LYS . 7.2 mm100 -86.09 -28.64 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.925 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.685 ' O ' HG23 ' C' ' 609' ' ' VAL . 5.8 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.736 0.303 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.34 -44.56 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.5 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . 0.938 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -58.48 -36.0 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.458 -179.743 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.939 HG11 ' HB1' ' B' ' 608' ' ' ALA . 61.5 t -63.64 -39.36 85.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.636 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.33 -46.52 76.35 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.768 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.52 ' O ' HG23 ' C' ' 614' ' ' THR . 35.8 mt-10 -58.6 -39.75 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.457 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.589 ' HG ' ' HB3' ' A' ' 612' ' ' LEU . 2.0 mm? -65.86 -32.87 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 -179.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.515 ' HG2' HD21 ' B' ' 612' ' ' LEU . 9.4 mmt180 -62.98 -47.07 84.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.995 -179.733 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . 0.52 HG23 ' O ' ' C' ' 611' ' ' GLU . 0.0 OUTLIER -68.14 -30.1 69.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.609 179.899 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.22 -46.82 69.52 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 111.159 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' C' ' 619' ' ' LEU . 16.5 m -67.69 -41.19 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -58.35 -51.62 69.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.13 72.21 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.012 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' C' ' 622' ' ' ILE . 8.8 mt -60.45 -38.73 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.996 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' C' ' 623' ' ' ILE . 1.6 ttm105 -64.29 -34.5 78.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -31.72 65.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' C' ' 619' ' ' LEU . 21.2 mt -64.15 -45.8 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.623 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.4 mt -66.41 -38.39 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.226 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.35 -48.27 67.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.417 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.75 -42.95 99.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.519 ' HB3' ' HG3' ' A' ' 627' ' ' LYS . 17.5 mtt -65.33 -34.18 77.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.517 ' HZ1' ' HB3' ' B' ' 629' ' ' GLN . 0.2 OUTLIER -70.85 -37.09 73.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.44 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.544 ' HB3' ' HZ1' ' A' ' 627' ' ' LYS . 6.2 tp60 -69.28 -45.71 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.796 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.46 HE21 ' HG2' ' A' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.4 90.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.04 -39.16 84.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -59.09 -45.52 90.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.01 179.597 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.91 -42.6 99.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 111.843 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.591 HG23 HD12 ' B' ' 637' ' ' LEU . 52.5 mt -58.27 -46.95 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.153 179.205 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -43.04 76.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.4 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.9 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.588 HD23 HD12 ' A' ' 641' ' ' LEU . 0.3 OUTLIER -63.09 -34.89 78.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.506 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 0.7 OUTLIER -71.17 -31.14 67.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.72 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.23 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.2 -41.73 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.43 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.589 HD12 HD23 ' B' ' 637' ' ' LEU . 0.5 OUTLIER -61.68 -44.68 96.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.797 179.489 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.68 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.5 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.521 ' O ' HG13 ' C' ' 647' ' ' ILE . 85.3 mt-10 -61.1 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.195 179.259 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.643 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 27.1 tt0 -66.29 -33.03 74.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.65 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 13.6 mmtt -64.01 -45.12 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -62.96 -48.43 78.9 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' C' ' 644' ' ' GLU . 2.1 mt -62.22 -38.78 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.1 0.476 . . . . 0.0 111.212 -179.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.522 HH11 ' HG3' ' B' ' 644' ' ' GLU . 5.6 ttp-105 -64.24 -42.37 96.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.061 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.98 -39.33 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -41.11 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.646 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.575 ' O ' HG23 ' C' ' 655' ' ' VAL . 12.7 tp -63.33 -33.41 75.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -44.51 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.175 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.306 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.612 ' O ' HG13 ' C' ' 658' ' ' ILE . 6.0 tt0 -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.575 HG23 ' O ' ' C' ' 651' ' ' LEU . 74.3 t -64.26 -46.78 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -56.23 -39.8 73.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.612 HG13 ' O ' ' C' ' 654' ' ' GLU . 8.6 mt -65.87 -45.87 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.664 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' C' ' 663' ' ' GLN . 4.8 tttt -62.15 -44.51 96.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -63.93 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.87 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.368 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 662' ' ' LEU . 1.1 mt -76.73 -31.25 57.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.48 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' C' ' 659' ' ' LYS . 7.3 mm100 -85.96 -28.69 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t -70.39 -49.57 47.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.011 -179.987 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.622 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.0 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.725 0.298 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 1.4 tt0 -70.79 -38.15 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.74 -34.53 78.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.25 -49.15 46.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.435 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 605' ' ' SER . 25.9 t -63.67 -48.17 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.612 -179.518 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 0.1 OUTLIER -53.21 -53.6 48.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 111.7 179.636 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.409 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 17.5 mt-10 -66.04 -25.89 67.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.452 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.1 OUTLIER -66.57 -50.34 63.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.767 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -65.26 -40.72 94.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.002 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 32.2 p -63.56 -27.75 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.662 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.795 ' HB3' HG11 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -70.88 -51.14 28.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 -179.482 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.806 HG11 ' HB3' ' C' ' 615' ' ' GLN . 1.9 t -63.96 -39.43 85.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -60.07 -44.98 94.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.254 -179.743 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -42.12 91.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 1.016 ' HA ' HD12 ' A' ' 622' ' ' ILE . 7.5 tp -65.28 -34.7 78.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.589 ' HD2' HD13 ' C' ' 619' ' ' LEU . 2.2 tpt180 -60.56 -45.91 92.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 4.1 m -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 1.016 HD12 ' HA ' ' A' ' 619' ' ' LEU . 5.8 mt -69.04 -34.68 65.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.589 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.741 HD11 HD11 ' C' ' 623' ' ' ILE . 1.1 mp -61.24 -45.32 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.46 -40.36 93.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.221 -179.381 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -66.27 -39.07 89.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.975 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.15 -41.6 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.606 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 7.8 ttmm -64.22 -42.52 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.02 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.93 -27.52 60.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 1.9 tt0 -67.19 -47.95 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 0.1 OUTLIER -63.65 -41.23 98.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.024 -179.786 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.604 ' O ' HG13 ' A' ' 634' ' ' ILE . 18.3 mttt -59.81 -41.92 92.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -68.01 -42.88 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 93.2 mt-10 -61.54 -48.63 80.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.86 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.0 OUTLIER -65.83 -33.97 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.079 179.253 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 638' ' ' LEU . 40.2 mttt -58.77 -48.8 80.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.472 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.49 91.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.985 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.53 -45.85 88.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 635' ' ' LYS . 2.6 mt -60.81 -45.81 92.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -35.77 78.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.2 -43.52 86.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.959 0.409 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.575 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.6 OUTLIER -65.87 -36.0 82.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.819 179.582 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -44.94 83.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -39.99 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 179.231 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -35.46 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.32 -36.81 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.69 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.19 -37.76 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.159 -179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -65.14 -43.76 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.022 -179.773 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . 0.543 ' O ' ' HG2' ' A' ' 653' ' ' MET . 2.9 mt -58.86 -41.36 86.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.829 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -39.45 93.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.694 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.706 HD22 ' HG2' ' B' ' 652' ' ' GLN . 45.5 tp -67.09 -39.14 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.759 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.705 ' HG2' HD22 ' C' ' 651' ' ' LEU . 2.9 mm-40 -57.54 -43.48 84.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 649' ' ' LEU . 18.9 mmt -66.56 -41.21 88.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.314 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.666 ' O ' HG13 ' A' ' 658' ' ' ILE . 34.7 tt0 -61.34 -40.77 95.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.503 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.9 t -65.32 -42.02 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.64 94.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.51 98.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.754 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.666 HG13 ' O ' ' A' ' 654' ' ' GLU . 10.3 mt -71.42 -35.35 56.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.643 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -50.15 68.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -69.01 -32.9 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.62 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.322 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.417 HD12 HD12 ' B' ' 662' ' ' LEU . 1.3 tt -63.62 -33.44 75.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.558 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.3 -29.18 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.956 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.628 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.0 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.787 0.327 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 1.4 tt0 -70.73 -38.25 73.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.2 -49.26 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.439 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 605' ' ' SER . 25.8 t -63.59 -48.22 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 0.1 OUTLIER -53.12 -53.61 47.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.158 0.504 . . . . 0.0 111.781 179.616 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.414 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 17.5 mt-10 -66.08 -25.89 67.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.43 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 612' ' ' LEU . 0.1 OUTLIER -66.56 -50.37 63.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.132 -179.775 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -65.31 -40.61 94.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 32.1 p -63.61 -27.76 69.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.663 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.796 ' HB3' HG11 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -70.91 -51.11 28.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 111.098 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.795 HG11 ' HB3' ' A' ' 615' ' ' GLN . 1.9 t -63.93 -39.51 85.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -44.97 94.32 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.327 -179.702 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -42.15 91.4 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.942 ' HA ' HD12 ' B' ' 622' ' ' ILE . 7.5 tp -65.31 -34.66 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.01 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.576 ' HD2' HD13 ' A' ' 619' ' ' LEU . 2.2 tpt180 -60.58 -45.88 92.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.1 m -60.02 -36.57 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.942 HD12 ' HA ' ' B' ' 619' ' ' LEU . 5.7 mt -69.04 -34.74 65.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.587 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 623' ' ' ILE . 1.1 mp -61.24 -45.31 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.48 -40.28 92.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.222 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.013 179.782 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 7.4 ttm -68.25 -41.6 80.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 7.8 ttmm -64.18 -42.51 96.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.85 -27.59 60.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 1.9 tt0 -67.17 -48.01 69.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 0.1 OUTLIER -63.58 -41.25 98.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.752 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.607 ' O ' HG13 ' B' ' 634' ' ' ILE . 18.3 mttt -59.85 -41.93 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -67.96 -43.01 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.956 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 93.2 mt-10 -61.45 -48.66 80.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 111.872 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.0 OUTLIER -65.79 -33.94 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' B' ' 638' ' ' LEU . 39.9 mttt -58.95 -48.74 80.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.449 -179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -38.62 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.52 -45.86 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 635' ' ' LYS . 2.6 mt -60.84 -45.82 92.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.17 -43.52 86.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.79 -36.11 82.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.791 179.563 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -45.01 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.529 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -40.04 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.227 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -35.63 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.26 -36.8 85.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.727 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -55.72 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 -179.619 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.24 -37.68 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.197 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.614 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -65.13 -43.77 90.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.055 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . 0.538 ' O ' ' HG2' ' B' ' 653' ' ' MET . 2.9 mt -58.89 -41.27 86.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.4 93.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 655' ' ' VAL . 45.5 tp -67.05 -39.2 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.706 ' HG2' HD22 ' A' ' 651' ' ' LEU . 2.9 mm-40 -57.51 -43.46 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' B' ' 649' ' ' LEU . 18.9 mmt -66.6 -41.2 88.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.323 -179.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.666 ' O ' HG13 ' B' ' 658' ' ' ILE . 34.7 tt0 -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.536 179.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 651' ' ' LEU . 43.0 t -65.35 -42.0 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.69 94.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.824 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -42.46 98.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.666 HG13 ' O ' ' B' ' 654' ' ' GLU . 10.3 mt -71.37 -35.39 57.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.623 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -50.17 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.02 -32.85 72.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.966 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.59 81.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.317 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.417 HD12 HD12 ' A' ' 662' ' ' LEU . 1.3 tt -63.69 -33.36 75.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.41 -29.07 34.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.636 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.739 0.304 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 1.4 tt0 -70.67 -38.32 73.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.56 78.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.15 46.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.489 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.636 HG23 ' O ' ' C' ' 605' ' ' SER . 25.7 t -63.63 -48.23 87.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 -179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 0.1 OUTLIER -53.1 -53.61 47.88 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 111.803 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 17.4 mt-10 -66.12 -25.88 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.388 179.441 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -66.53 -50.45 63.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 -179.817 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -65.25 -40.62 94.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 32.0 p -63.67 -27.67 69.38 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.664 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.806 ' HB3' HG11 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -70.95 -51.12 27.7 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 111.166 -179.523 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' B' ' 615' ' ' GLN . 1.9 t -63.92 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -45.0 94.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.327 -179.729 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -42.19 91.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.974 ' HA ' HD12 ' C' ' 622' ' ' ILE . 7.4 tp -65.34 -34.6 78.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' B' ' 619' ' ' LEU . 2.2 tpt180 -60.59 -45.92 92.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 4.1 m -60.01 -36.61 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.974 HD12 ' HA ' ' C' ' 619' ' ' LEU . 5.7 mt -69.03 -34.69 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.63 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.741 HD11 HD11 ' A' ' 623' ' ' ILE . 1.1 mp -61.18 -45.29 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.282 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -65.49 -40.32 92.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -66.29 -39.06 89.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.034 179.814 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.23 -41.51 81.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.983 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 7.9 ttmm -64.33 -42.49 96.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.83 -27.57 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 1.9 tt0 -67.28 -47.92 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 0.1 OUTLIER -63.67 -41.18 98.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.002 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.609 ' O ' HG13 ' C' ' 634' ' ' ILE . 18.3 mttt -59.83 -41.93 92.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -68.02 -42.93 79.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.945 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 93.2 mt-10 -61.46 -48.68 80.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.609 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.0 OUTLIER -65.81 -33.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.055 179.28 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' C' ' 638' ' ' LEU . 40.1 mttt -58.83 -48.8 80.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.448 -179.514 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -38.64 91.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.56 -45.85 88.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' C' ' 635' ' ' LYS . 2.6 mt -60.79 -45.79 93.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -35.75 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.76 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.29 -43.42 86.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.758 179.571 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -45.04 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -40.01 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.232 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -35.57 81.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.29 -36.83 85.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.72 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.22 -37.71 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.037 0.446 . . . . 0.0 111.202 -179.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.638 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -65.12 -43.76 90.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.021 -179.826 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' C' ' 653' ' ' MET . 2.9 mt -58.9 -41.29 86.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.42 93.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.705 HD22 ' HG2' ' A' ' 652' ' ' GLN . 45.6 tp -67.03 -39.2 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.745 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.688 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.0 mm-40 -57.61 -43.37 84.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' C' ' 649' ' ' LEU . 19.0 mmt -66.64 -41.19 88.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.668 ' O ' HG13 ' C' ' 658' ' ' ILE . 34.8 tt0 -61.3 -40.83 95.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.548 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.68 HG23 ' O ' ' C' ' 651' ' ' LEU . 43.1 t -65.34 -41.96 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -39.66 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -42.47 98.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.735 179.595 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.668 HG13 ' O ' ' C' ' 654' ' ' GLU . 10.3 mt -71.39 -35.27 56.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.721 -179.703 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -50.16 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' C' ' 660' ' ' LYS . 18.6 mtmt -69.02 -32.87 72.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.51 -40.53 80.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.581 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.3 tt -63.75 -33.37 75.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.33 -29.17 34.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p -77.3 -17.75 58.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.708 0.29 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.37 84.6 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.23 77.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.53 83.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.471 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.52 -29.83 46.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.07 -41.04 82.53 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.17 0.509 . . . . 0.0 111.74 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.91 99.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.858 HD21 ' HA ' ' B' ' 613' ' ' ARG . 10.0 mt -66.03 -38.53 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.078 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.856 ' HA ' HD21 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -56.08 -47.01 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.003 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.22 -41.51 98.46 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.409 ' HG3' ' NH1' ' B' ' 620' ' ' ARG . 31.6 tt0 -69.64 -36.01 75.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.937 0.399 . . . . 0.0 111.15 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.825 HG21 HD22 ' C' ' 612' ' ' LEU . 67.5 t -66.39 -46.44 86.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.05 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.347 -179.752 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -35.82 81.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.621 HD23 HD11 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.88 93.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.782 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.615 ' HB2' HD11 ' C' ' 619' ' ' LEU . 11.9 ttm180 -65.79 -36.25 83.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.31 -30.25 70.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 626' ' ' MET . 6.0 mt -69.85 -44.29 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.068 0.461 . . . . 0.0 111.626 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.699 HD13 HG12 ' C' ' 623' ' ' ILE . 3.8 mt -63.74 -35.57 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.243 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -42.83 78.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 -179.385 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.6 -40.63 76.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.983 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.482 ' SD ' HG22 ' B' ' 623' ' ' ILE . 9.5 mtt -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.434 ' HD3' ' HE2' ' A' ' 631' ' ' LYS . 0.9 OUTLIER -61.64 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -39.04 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.008 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.65 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -66.33 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.018 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.434 ' HE2' ' HD3' ' A' ' 627' ' ' LYS . 8.6 mmtt -66.37 -46.03 78.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -37.76 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.011 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.485 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.6 mm-40 -64.98 -46.98 79.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.998 0.428 . . . . 0.0 111.848 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' C' ' 633' ' ' GLU . 1.7 mt -63.07 -37.98 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.072 179.234 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.6 OUTLIER -63.99 -41.87 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.477 -179.551 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -35.17 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.947 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' B' ' 638' ' ' LEU . 4.6 mt -65.69 -44.67 85.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 635' ' ' LYS . 4.0 mt -61.72 -39.16 90.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -39.87 90.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.77 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.585 ' OE1' HD13 ' B' ' 641' ' ' LEU . 36.1 tt0 -67.94 -39.62 83.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.46 -40.67 96.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.759 179.58 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.05 -32.44 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.501 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -64.62 -47.63 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.231 179.231 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.449 ' HG3' ' HE ' ' B' ' 648' ' ' ARG . 65.2 tt0 -65.52 -34.74 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.95 -40.16 88.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -40.27 89.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 643' ' ' GLU . 3.8 mt -70.63 -38.35 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.01 0.434 . . . . 0.0 111.202 -179.696 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 1.0 OUTLIER -68.12 -40.78 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.991 -179.832 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -43.81 91.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -67.08 -34.27 77.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.618 ' HG ' ' HG3' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -60.34 -46.94 88.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.3 tt0 -59.21 -40.42 85.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.198 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.53 -31.13 71.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 111.344 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 658' ' ' ILE . 22.6 tt0 -67.88 -48.7 65.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.539 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 651' ' ' LEU . 2.9 t -63.11 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.17 -39.16 89.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.96 55.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 654' ' ' GLU . 2.2 tt -64.2 -28.31 44.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.671 -179.658 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -70.7 -44.45 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.041 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.56 80.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.28 59.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.4 HD22 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.93 -31.18 71.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.504 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -28.53 44.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 179.974 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -37.3 84.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.18 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.398 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.51 -29.87 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.06 -40.96 82.68 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.206 0.527 . . . . 0.0 111.836 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.89 99.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.447 179.4 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.855 HD21 ' HA ' ' C' ' 613' ' ' ARG . 10.0 mt -65.92 -38.56 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.858 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.1 OUTLIER -56.12 -46.95 78.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.748 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.604 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.405 ' HG3' ' NH1' ' C' ' 620' ' ' ARG . 31.6 tt0 -69.63 -36.12 75.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 111.086 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 612' ' ' LEU . 68.6 t -66.31 -46.48 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.0 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.362 -179.768 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -35.77 81.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.629 HD23 HD11 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.89 93.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 -179.805 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.618 ' HB2' HD11 ' A' ' 619' ' ' LEU . 11.9 ttm180 -65.84 -36.21 82.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.35 -30.3 70.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.62 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' B' ' 626' ' ' MET . 6.1 mt -69.83 -44.3 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.635 -179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.681 HG12 HD13 ' C' ' 623' ' ' ILE . 3.9 mt -63.75 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.85 79.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.52 -40.68 76.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.03 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.484 ' SD ' HG22 ' C' ' 623' ' ' ILE . 9.5 mtt -62.97 -40.04 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.419 ' HD3' ' HE2' ' B' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.75 98.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.044 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.86 -39.05 90.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.075 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.68 79.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.478 ' O ' HD12 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -66.38 -32.13 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.717 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.419 ' HE2' ' HD3' ' B' ' 627' ' ' LYS . 8.5 mmtt -66.48 -46.0 77.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -37.84 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.032 179.649 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.503 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.6 mm-40 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.063 0.459 . . . . 0.0 111.885 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' A' ' 633' ' ' GLU . 1.7 mt -63.1 -37.98 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.03 179.281 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.6 OUTLIER -64.0 -41.85 97.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.462 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -35.14 80.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' C' ' 638' ' ' LEU . 4.6 mt -65.73 -44.66 85.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' B' ' 635' ' ' LYS . 4.1 mt -61.68 -39.31 90.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.082 -179.722 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -39.94 90.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.591 ' OE1' HD13 ' C' ' 641' ' ' LEU . 36.0 tt0 -67.91 -39.66 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.8 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.38 -40.76 96.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.778 179.524 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.94 -32.54 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.524 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.462 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.1 OUTLIER -64.56 -47.68 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.252 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.437 ' HG3' ' HE ' ' C' ' 648' ' ' ARG . 65.2 tt0 -65.48 -34.89 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.81 -40.16 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.4 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 643' ' ' GLU . 3.8 mt -70.56 -38.42 73.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 111.232 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.521 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.74 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.038 -179.82 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -43.92 91.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.764 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.89 -34.38 77.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.688 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.624 ' HG ' ' HG3' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.01 87.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.708 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.618 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 2.3 tt0 -59.1 -40.45 85.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.199 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.7 -30.93 71.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.338 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.564 ' O ' HG22 ' B' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.69 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 651' ' ' LEU . 2.8 t -63.08 -35.56 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 0.0 111.171 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.22 -39.06 89.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -52.99 55.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.746 179.547 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.564 HG22 ' O ' ' B' ' 654' ' ' GLU . 2.2 tt -64.16 -28.32 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.694 -179.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -70.64 -44.44 67.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.026 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -35.56 80.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.7 -37.28 59.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.306 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -66.1 -31.09 71.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 179.62 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -28.51 44.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.997 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.34 84.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.09 77.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.58 83.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.449 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.57 -29.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.517 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.1 -40.99 82.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 111.717 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.413 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 613' ' ' ARG . 10.0 mt -65.93 -38.54 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.855 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.1 OUTLIER -56.15 -46.89 79.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.019 -179.742 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.3 -41.47 98.53 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.624 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.414 ' HG3' ' NH1' ' A' ' 620' ' ' ARG . 31.5 tt0 -69.67 -36.04 75.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.115 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.816 HG21 HD22 ' B' ' 612' ' ' LEU . 68.5 t -66.31 -46.45 87.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.255 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -63.35 -45.23 92.17 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.334 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.66 -43.93 93.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 -179.878 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' B' ' 619' ' ' LEU . 11.9 ttm180 -65.86 -36.25 82.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.36 -30.22 69.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.617 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' C' ' 626' ' ' MET . 6.0 mt -69.88 -44.25 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.662 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 623' ' ' ILE . 3.9 mt -63.74 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.245 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -42.85 79.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.49 -40.72 76.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.003 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.477 ' SD ' HG22 ' A' ' 623' ' ' ILE . 9.5 mtt -62.94 -40.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.424 ' HD3' ' HE2' ' C' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.7 98.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -39.02 90.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -63.92 -47.68 79.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.482 ' O ' HD12 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -66.35 -32.15 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.424 ' HE2' ' HD3' ' C' ' 627' ' ' LYS . 8.6 mmtt -66.46 -46.0 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.86 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.956 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.6 mm-40 -64.92 -47.03 79.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.083 0.468 . . . . 0.0 111.907 -178.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.503 HG21 ' HB3' ' B' ' 633' ' ' GLU . 1.7 mt -62.97 -38.0 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.106 179.193 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.557 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.6 OUTLIER -64.04 -41.84 97.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.43 -179.528 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -35.22 80.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 638' ' ' LEU . 4.7 mt -65.65 -44.75 85.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.789 179.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' C' ' 635' ' ' LYS . 4.0 mt -61.59 -39.3 90.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.95 91.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.592 ' OE1' HD13 ' A' ' 641' ' ' LEU . 36.1 tt0 -67.95 -39.63 83.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.804 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.4 -40.68 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 179.491 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.481 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.455 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.1 OUTLIER -64.61 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.205 179.276 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.441 ' HG3' ' HE ' ' A' ' 648' ' ' ARG . 65.2 tt0 -65.39 -34.95 79.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.74 -40.26 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.33 89.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.455 HG13 ' O ' ' C' ' 643' ' ' GLU . 3.8 mt -70.63 -38.38 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.072 0.463 . . . . 0.0 111.21 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.521 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.78 82.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.84 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -43.9 91.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.94 -34.28 77.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.627 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.04 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.624 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 2.3 tt0 -59.16 -40.42 85.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.19 -179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.62 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 111.343 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.557 ' O ' HG22 ' C' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.7 65.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.522 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.516 HG23 ' O ' ' C' ' 651' ' ' LEU . 2.9 t -63.08 -35.58 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.14 -39.1 89.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.98 55.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.497 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 654' ' ' GLU . 2.2 tt -64.18 -28.33 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.674 -179.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.483 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -70.66 -44.42 67.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.0 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -35.57 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.65 -37.23 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.384 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -31.18 71.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.521 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -28.5 44.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m -70.46 -39.2 74.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.018 -179.949 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 609' ' ' VAL . 11.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.757 0.313 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -68.8 -38.87 80.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.794 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.437 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 605' ' ' SER . 3.5 t -66.34 -38.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 -179.536 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.5 -48.26 82.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.768 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.416 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 51.4 mt-10 -70.61 -28.31 64.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.455 179.357 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -64.88 -49.89 68.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.793 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.568 ' HE ' HD22 ' C' ' 612' ' ' LEU . 7.7 tpp85 -64.51 -37.87 89.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 21.5 p -71.56 -27.6 63.27 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.683 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -48.86 31.9 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 111.138 -179.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 612' ' ' LEU . 1.4 t -68.69 -36.7 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.481 HH22 ' HG2' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -63.61 -49.55 72.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.29 -179.709 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -43.76 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.968 179.705 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.807 HD21 HD13 ' B' ' 623' ' ' ILE . 19.6 tp -65.88 -36.78 84.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.481 ' HG2' HH22 ' A' ' 617' ' ' ARG . 0.0 OUTLIER -56.47 -42.62 78.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -38.15 90.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.559 179.526 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 619' ' ' LEU . 24.7 mt -66.25 -36.71 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.591 -179.641 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.807 HD13 HD21 ' C' ' 619' ' ' LEU . 0.9 OUTLIER -62.76 -42.59 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -47.66 73.14 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.387 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.06 -40.29 97.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.545 ' HG2' ' NE2' ' B' ' 630' ' ' GLN . 5.7 ttm -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 15.0 ttmm -62.16 -49.13 77.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.084 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -29.2 68.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.008 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.4 OUTLIER -64.26 -48.91 73.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 3.1 pt20 -66.56 -31.96 73.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' A' ' 634' ' ' ILE . 24.6 mttm -67.42 -41.39 84.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.48 -42.22 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.936 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' B' ' 634' ' ' ILE . 80.0 mt-10 -60.93 -44.9 96.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.883 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.5 pp -67.95 -33.86 63.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.073 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.75 -43.37 84.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.398 -179.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -44.83 76.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.88 -42.15 84.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -42.32 98.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -34.52 76.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' B' ' 641' ' ' LEU . 2.2 mt-10 -72.19 -36.5 69.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.6 OUTLIER -71.2 -38.7 72.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.757 179.579 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HD3' ' A' ' 646' ' ' LYS . 15.6 m-20 -63.57 -47.14 82.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.286 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.401 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -64.46 -36.52 84.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.46 -33.39 62.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 650' ' ' ARG . 0.3 OUTLIER -63.34 -45.69 90.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -179.664 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 2.0 tt -72.94 -38.52 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 648' ' ' ARG . 1.6 tmm_? -62.59 -42.19 99.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.059 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.789 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 646' ' ' LYS . 1.8 mmp_? -60.45 -37.77 82.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.701 HD22 ' HG2' ' B' ' 652' ' ' GLN . 22.6 tp -66.63 -39.4 88.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.687 ' HG2' HD22 ' C' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.84 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.127 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -44.4 89.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.323 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.95 -44.68 91.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.551 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.626 HG21 HD11 ' C' ' 651' ' ' LEU . 17.8 t -60.93 -40.72 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -34.37 77.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -44.39 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.798 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.512 HG21 HG22 ' B' ' 658' ' ' ILE . 6.6 mt -65.81 -38.06 81.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.742 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.24 83.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -34.55 76.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' B' ' 662' ' ' LEU . . . -70.15 -36.24 74.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' C' ' 661' ' ' ALA . 0.6 OUTLIER -74.0 -31.09 62.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.531 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . 0.405 ' HA ' HE21 ' A' ' 663' ' ' GLN . 0.0 OUTLIER -76.65 -37.79 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.994 -180.0 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.587 ' O ' HG23 ' B' ' 609' ' ' VAL . 11.5 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.87 -38.77 79.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.78 88.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.94 75.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.434 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 605' ' ' SER . 3.5 t -66.42 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.594 -179.553 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.3 -48.44 81.6 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.193 0.52 . . . . 0.0 111.791 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.41 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 51.4 mt-10 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.436 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -64.85 -49.94 68.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.081 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.568 ' HE ' HD22 ' A' ' 612' ' ' LEU . 7.7 tpp85 -64.49 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.072 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 21.5 p -71.58 -27.62 63.26 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.642 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -48.83 32.12 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.014 0.435 . . . . 0.0 111.157 -179.4 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 612' ' ' LEU . 1.4 t -68.66 -36.79 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.48 HH22 ' HG2' ' B' ' 620' ' ' ARG . 0.0 OUTLIER -63.49 -49.62 72.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.38 -43.76 88.63 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.998 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.798 HD21 HD13 ' C' ' 623' ' ' ILE . 19.6 tp -65.8 -36.74 84.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.48 ' HG2' HH22 ' B' ' 617' ' ' ARG . 0.0 OUTLIER -56.49 -42.71 78.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -38.16 90.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.652 179.556 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 619' ' ' LEU . 25.2 mt -66.27 -36.65 77.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.807 HD13 HD21 ' A' ' 619' ' ' LEU . 0.9 OUTLIER -62.76 -42.6 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -47.61 73.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.398 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -40.27 97.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.537 ' HG2' ' NE2' ' C' ' 630' ' ' GLN . 5.7 ttm -67.91 -40.89 83.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 15.0 ttmm -62.04 -49.27 76.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -29.07 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.4 OUTLIER -64.33 -48.89 73.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.788 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 3.1 pt20 -66.49 -32.0 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' B' ' 634' ' ' ILE . 24.6 mttm -67.48 -41.29 84.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.5 -42.26 65.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.941 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.487 ' HB3' HG21 ' C' ' 634' ' ' ILE . 80.1 mt-10 -60.85 -44.9 96.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 111.882 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.5 pp -68.01 -33.85 63.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.072 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.8 -43.32 84.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.93 76.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.9 -42.17 84.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.736 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -42.3 98.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.991 0.425 . . . . 0.0 111.221 -179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -34.53 76.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' C' ' 641' ' ' LEU . 2.2 mt-10 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.013 0.435 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.6 OUTLIER -71.21 -38.72 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.78 179.554 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' B' ' 646' ' ' LYS . 15.6 m-20 -63.51 -47.17 82.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.471 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.23 77.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.213 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -36.51 84.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.44 -33.38 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 650' ' ' ARG . 0.3 OUTLIER -63.39 -45.64 90.1 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 -179.637 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.98 -38.49 56.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 111.174 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.401 HH21 ' HG2' ' A' ' 644' ' ' GLU . 1.6 tmm_? -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.049 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.6 -42.78 99.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.77 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 646' ' ' LYS . 1.8 mmp_? -60.38 -37.92 82.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.696 HD22 ' HG2' ' C' ' 652' ' ' GLN . 22.6 tp -66.51 -39.38 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.701 ' HG2' HD22 ' A' ' 651' ' ' LEU . 3.5 mt-30 -55.88 -41.79 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 -179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.323 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.407 ' OE2' HG12 ' C' ' 655' ' ' VAL . 21.0 tt0 -59.03 -44.65 91.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.634 HG21 HD11 ' A' ' 651' ' ' LEU . 18.0 t -60.93 -40.73 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -34.32 77.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.36 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 179.559 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.517 HG21 HG22 ' C' ' 658' ' ' ILE . 6.6 mt -65.79 -38.07 81.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.65 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -44.16 83.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -34.58 76.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' C' ' 662' ' ' LEU . . . -70.08 -36.21 74.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.355 -179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 661' ' ' ALA . 0.6 OUTLIER -74.03 -31.15 62.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 179.549 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' B' ' 663' ' ' GLN . 0.0 OUTLIER -76.61 -37.92 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.948 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.601 ' O ' HG23 ' C' ' 609' ' ' VAL . 11.2 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.696 0.284 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.83 -38.82 80.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.88 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.05 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.601 HG23 ' O ' ' C' ' 605' ' ' SER . 3.5 t -66.41 -38.85 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.635 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.34 -48.45 81.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.166 0.508 . . . . 0.0 111.771 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.412 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 51.4 mt-10 -70.56 -28.21 64.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.524 179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.72 ' O ' HG23 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -65.0 -49.88 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.087 -179.765 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.583 ' HE ' HD22 ' B' ' 612' ' ' LEU . 7.7 tpp85 -64.49 -37.83 88.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.034 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 21.4 p -71.69 -27.49 63.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.695 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -48.96 31.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.97 0.414 . . . . 0.0 111.141 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.72 HG23 ' O ' ' C' ' 612' ' ' LEU . 1.4 t -68.6 -36.74 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.474 HH22 ' HG2' ' C' ' 620' ' ' ARG . 0.0 OUTLIER -63.59 -49.51 73.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.327 -179.727 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -43.73 88.68 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.002 179.653 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.807 HD21 HD13 ' A' ' 623' ' ' ILE . 19.6 tp -65.88 -36.7 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.474 ' HG2' HH22 ' C' ' 617' ' ' ARG . 0.0 OUTLIER -56.52 -42.67 78.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.893 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -38.17 90.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.475 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' C' ' 619' ' ' LEU . 25.0 mt -66.28 -36.74 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.581 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.798 HD13 HD21 ' B' ' 619' ' ' LEU . 0.9 OUTLIER -62.68 -42.63 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -47.73 73.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.269 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.03 -40.37 97.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.998 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.529 ' HG2' ' NE2' ' A' ' 630' ' ' GLN . 5.6 ttm -67.82 -40.83 83.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 15.1 ttmm -62.09 -49.27 76.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.41 -29.23 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.047 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.4 OUTLIER -64.19 -48.88 74.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 3.1 pt20 -66.54 -31.9 72.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.014 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' C' ' 634' ' ' ILE . 24.5 mttm -67.47 -41.4 84.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.41 -42.18 65.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.02 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.489 ' HB3' HG21 ' A' ' 634' ' ' ILE . 80.1 mt-10 -60.98 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 111.861 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.5 pp -68.05 -33.76 62.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.112 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -66.82 -43.32 84.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -44.82 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.03 -42.08 84.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -42.25 98.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -34.58 76.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.855 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 641' ' ' LEU . 2.2 mt-10 -72.12 -36.57 69.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.993 0.425 . . . . 0.0 110.839 179.879 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.6 OUTLIER -71.18 -38.73 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.599 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' C' ' 646' ' ' LYS . 15.4 m-20 -63.55 -47.09 82.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.476 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -34.19 77.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.283 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.912 179.799 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.765 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' C' ' 650' ' ' ARG . 0.3 OUTLIER -63.4 -45.64 90.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.242 -179.599 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.89 -38.47 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.092 0.472 . . . . 0.0 111.233 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.64 -42.21 99.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.59 -42.72 99.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' C' ' 646' ' ' LYS . 1.8 mmp_? -60.46 -37.85 82.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.687 HD22 ' HG2' ' A' ' 652' ' ' GLN . 22.4 tp -66.57 -39.37 88.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.696 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.83 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.121 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -44.36 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.327 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.407 ' OE2' HG12 ' A' ' 655' ' ' VAL . 21.0 tt0 -58.98 -44.69 91.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.499 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.636 HG21 HD11 ' B' ' 651' ' ' LEU . 17.7 t -60.97 -40.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.74 -44.25 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.517 HG22 HG21 ' B' ' 658' ' ' ILE . 6.7 mt -65.94 -38.01 81.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.661 -179.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.19 83.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -34.58 76.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . 0.497 ' HB1' HD21 ' A' ' 662' ' ' LEU . . . -70.02 -36.23 74.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.503 HD21 ' HB1' ' B' ' 661' ' ' ALA . 0.6 OUTLIER -74.13 -31.08 62.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.617 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . 0.4 ' HA ' HE21 ' C' ' 663' ' ' GLN . 0.0 OUTLIER -76.67 -37.82 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p -71.78 -43.46 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . 0.711 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.67 ' O ' HG23 ' A' ' 609' ' ' VAL . 4.7 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.57 -37.31 82.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.74 83.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . 0.577 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -61.49 -32.66 72.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.442 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 605' ' ' SER . 82.4 t -60.88 -40.12 84.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.519 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.65 -39.63 74.05 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.186 0.517 . . . . 0.0 111.761 179.645 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.639 ' O ' HG22 ' A' ' 614' ' ' THR . 12.5 mt-10 -63.35 -42.63 98.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.492 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.806 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.1 mm? -65.33 -36.55 84.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.751 0.31 . . . . 0.0 111.056 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.822 ' HG2' HD21 ' C' ' 612' ' ' LEU . 10.4 mtt180 -59.29 -45.35 91.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 -179.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 611' ' ' GLU . 1.3 t -67.59 -28.15 67.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.656 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 611' ' ' GLU . 45.2 mm-40 -68.51 -48.15 65.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.155 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.437 HG11 ' HB2' ' C' ' 615' ' ' GLN . 2.5 m -65.34 -41.91 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.41 -45.49 94.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.287 -179.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 622' ' ' ILE . 6.3 tp10 -66.55 -30.92 71.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 615' ' ' GLN . 28.2 mt -70.1 -39.85 75.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.997 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.657 HH11 ' HB2' ' A' ' 620' ' ' ARG . 0.1 OUTLIER -60.07 -44.99 94.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.822 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 625' ' ' THR . 2.9 p -67.69 -34.49 77.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.534 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' A' ' 626' ' ' MET . 1.4 mt -62.42 -46.86 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' B' ' 623' ' ' ILE . 3.1 mt -67.17 -41.8 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.296 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.33 -49.33 77.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 621' ' ' SER . 44.9 p -63.8 -49.9 71.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.02 179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 622' ' ' ILE . 3.9 mtt -59.2 -33.13 70.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.523 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 1.5 tmtm? -73.11 -39.21 65.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -47.58 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.67 -47.31 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -39.81 91.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.04 -42.58 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.956 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.712 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.9 mm-40 -61.57 -37.97 85.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 111.904 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.728 ' O ' HD12 ' A' ' 638' ' ' LEU . 2.3 mt -69.85 -41.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.045 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -43.15 97.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -35.01 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.2 OUTLIER -64.42 -46.57 82.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 179.697 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.1 mt -60.22 -41.95 94.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -41.16 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.411 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.2 tt0 -62.76 -41.71 99.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.445 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -62.36 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.768 179.615 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -36.83 75.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.489 -179.345 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -66.87 -46.38 75.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.28 179.248 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.583 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 2.4 tt0 -64.74 -34.69 78.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.814 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.11 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.761 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.43 -49.44 75.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.592 HG22 HE22 ' B' ' 652' ' ' GLN . 2.8 mt -66.25 -38.41 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 120.998 0.428 . . . . 0.0 111.198 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.7 ttp-105 -63.58 -39.95 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.69 -38.53 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.759 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 650' ' ' ARG . 0.0 OUTLIER -66.1 -46.38 77.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.685 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 655' ' ' VAL . 18.0 tp -59.79 -35.68 75.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.724 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.4 OUTLIER -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -46.96 78.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 658' ' ' ILE . 1.0 OUTLIER -62.39 -38.42 89.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.565 179.617 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 651' ' ' LEU . 69.7 t -60.82 -42.87 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -179.566 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.72 -40.16 96.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.35 -36.42 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 654' ' ' GLU . 56.1 mt -68.93 -45.23 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.647 -179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.523 ' HG3' HG12 ' C' ' 658' ' ' ILE . 9.4 tttm -64.97 -41.67 95.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 111.071 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.39 88.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.0 76.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.367 -179.788 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.48 -36.88 76.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 38.0 mt-30 -74.57 -34.77 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.687 ' O ' HG23 ' B' ' 609' ' ' VAL . 4.6 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.709 0.29 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.47 -37.33 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.25 -42.75 83.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . 0.593 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -61.56 -32.59 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.453 -179.756 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 605' ' ' SER . 81.6 t -60.94 -40.12 84.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.607 -179.598 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.68 -39.65 74.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.708 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.653 ' O ' HG22 ' B' ' 614' ' ' THR . 12.6 mt-10 -63.34 -42.69 98.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.827 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -65.21 -36.57 84.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.806 ' HG2' HD21 ' A' ' 612' ' ' LEU . 10.4 mtt180 -59.37 -45.3 91.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 611' ' ' GLU . 1.3 t -67.65 -28.13 67.46 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.6 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 611' ' ' GLU . 45.2 mm-40 -68.45 -48.24 65.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 111.16 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 615' ' ' GLN . 2.5 m -65.26 -41.94 92.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.41 -45.4 94.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.286 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.459 ' O ' HD12 ' B' ' 622' ' ' ILE . 6.3 tp10 -66.58 -30.9 71.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.014 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 615' ' ' GLN . 28.3 mt -70.14 -39.84 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.667 HH11 ' HB2' ' B' ' 620' ' ' ARG . 0.1 OUTLIER -60.19 -44.93 94.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . 0.711 ' O ' HG23 ' B' ' 625' ' ' THR . 2.9 p -67.72 -34.47 76.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 179.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.553 HG23 ' SD ' ' B' ' 626' ' ' MET . 1.4 mt -62.46 -46.8 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.989 0.423 . . . . 0.0 111.574 -179.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.28 -41.8 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.28 -49.34 77.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.27 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . 0.711 HG23 ' O ' ' B' ' 621' ' ' SER . 44.9 p -63.78 -50.01 70.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.553 ' SD ' HG23 ' B' ' 622' ' ' ILE . 3.9 mtt -59.08 -33.16 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.5 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 1.5 tmtm? -73.06 -39.25 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.52 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -38.69 92.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HB3' ' NE2' ' A' ' 630' ' ' GLN . 1.5 tp-100 -65.57 -47.37 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.975 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.7 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.08 -42.54 99.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.948 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.725 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.9 mm-40 -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 111.853 -178.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.726 ' O ' HD12 ' B' ' 638' ' ' LEU . 2.3 mt -69.89 -41.02 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.056 179.267 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -43.06 97.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.518 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -35.04 79.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.985 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.2 OUTLIER -64.35 -46.56 82.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.778 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.726 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.1 mt -60.27 -41.93 94.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.413 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.2 tt0 -62.71 -41.73 99.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.26 -43.55 98.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.732 179.586 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.96 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.507 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.57 ' O ' HD12 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -66.74 -46.49 75.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 179.23 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 2.4 tt0 -64.75 -34.65 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.575 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 10.5 mttm -66.23 -40.12 90.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.48 -49.32 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.595 HG22 HE22 ' C' ' 652' ' ' GLN . 2.8 mt -66.27 -38.44 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.052 0.453 . . . . 0.0 111.232 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.583 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -63.53 -39.99 95.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.042 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.61 -38.6 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -66.08 -46.36 77.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.74 ' O ' HG23 ' B' ' 655' ' ' VAL . 17.9 tp -59.84 -35.59 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.738 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.702 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.4 OUTLIER -63.33 -39.44 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.165 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -46.97 78.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.627 ' O ' HG13 ' B' ' 658' ' ' ILE . 1.0 OUTLIER -62.37 -38.54 89.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.498 179.638 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 651' ' ' LEU . 70.1 t -60.72 -42.94 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.75 -40.11 95.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.38 -36.39 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.746 179.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 654' ' ' GLU . 55.8 mt -68.89 -45.22 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.755 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.535 ' HG3' HG12 ' A' ' 658' ' ' ILE . 9.4 tttm -65.0 -41.7 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.33 89.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.37 -33.99 76.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.42 -36.97 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' B' ' 659' ' ' LYS . 38.0 mt-30 -74.5 -34.81 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.686 ' O ' HG23 ' C' ' 609' ' ' VAL . 4.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.776 0.322 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -67.68 -37.23 82.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.26 -42.81 83.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . 0.597 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -61.46 -32.64 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 605' ' ' SER . 81.7 t -60.97 -39.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.517 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.79 -39.51 74.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.138 0.494 . . . . 0.0 111.819 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.665 ' O ' HG22 ' C' ' 614' ' ' THR . 12.6 mt-10 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.442 179.386 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.822 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -65.23 -36.58 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.752 0.31 . . . . 0.0 111.13 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.827 ' HG2' HD21 ' B' ' 612' ' ' LEU . 10.4 mtt180 -59.38 -45.31 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.021 -179.784 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . 0.665 HG22 ' O ' ' C' ' 611' ' ' GLU . 1.3 t -67.6 -28.14 67.5 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.638 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' C' ' 611' ' ' GLU . 45.2 mm-40 -68.47 -48.17 65.2 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.065 0.459 . . . . 0.0 111.186 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 615' ' ' GLN . 2.5 m -65.36 -41.84 92.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.51 -45.41 94.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.472 ' O ' HD12 ' C' ' 622' ' ' ILE . 6.3 tp10 -66.52 -30.92 71.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.63 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' C' ' 615' ' ' GLN . 28.1 mt -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.78 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.673 HH11 ' HB2' ' C' ' 620' ' ' ARG . 0.1 OUTLIER -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.86 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . 0.704 ' O ' HG23 ' C' ' 625' ' ' THR . 2.9 p -67.73 -34.42 76.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.646 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.548 HG23 ' SD ' ' C' ' 626' ' ' MET . 1.4 mt -62.56 -46.72 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.539 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.29 -41.74 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.38 -49.29 77.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.434 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . 0.704 HG23 ' O ' ' C' ' 621' ' ' SER . 45.0 p -63.8 -49.98 70.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.548 ' SD ' HG23 ' C' ' 622' ' ' ILE . 3.9 mtt -59.22 -33.04 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 1.5 tmtm? -73.09 -39.25 65.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.49 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -38.63 91.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.415 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.56 -47.34 76.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.976 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.71 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -61.98 -42.61 99.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.999 179.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.711 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.9 mm-40 -61.48 -38.09 86.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 111.878 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.731 ' O ' HD12 ' C' ' 638' ' ' LEU . 2.3 mt -69.83 -40.99 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.156 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.1 97.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.466 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -35.01 79.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.59 HD22 HD22 ' B' ' 637' ' ' LEU . 0.2 OUTLIER -64.36 -46.6 82.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.595 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.731 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.1 mt -60.17 -41.94 93.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.204 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.23 91.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.417 ' HG2' HD22 ' A' ' 641' ' ' LEU . 31.2 tt0 -62.59 -41.75 99.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.029 0.443 . . . . 0.0 110.944 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.435 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.34 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.808 179.582 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -36.84 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.55 -179.399 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.57 ' O ' HD12 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -66.79 -46.45 75.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.21 179.207 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 2.4 tt0 -64.81 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.19 90.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.39 -49.42 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.589 HG22 HE22 ' A' ' 652' ' ' GLN . 2.8 mt -66.28 -38.36 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.998 0.428 . . . . 0.0 111.223 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.559 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.7 ttp-105 -63.61 -39.87 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.76 -38.54 89.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -66.01 -46.5 77.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.757 ' O ' HG23 ' C' ' 655' ' ' VAL . 17.9 tp -59.78 -35.61 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.708 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.175 -179.795 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -47.06 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.327 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.628 ' O ' HG13 ' C' ' 658' ' ' ILE . 1.0 OUTLIER -62.29 -38.45 89.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.573 179.578 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.757 HG23 ' O ' ' C' ' 651' ' ' LEU . 69.9 t -60.86 -42.84 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.82 -40.03 95.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -36.46 84.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.628 HG13 ' O ' ' C' ' 654' ' ' GLU . 56.3 mt -68.99 -45.15 80.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.668 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.538 ' HG3' HG12 ' B' ' 658' ' ' ILE . 9.4 tttm -65.03 -41.62 95.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -45.34 88.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.34 -34.05 76.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.45 -36.88 77.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.503 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' C' ' 659' ' ' LYS . 38.0 mt-30 -74.58 -34.74 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -35.24 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 609' ' ' VAL . 4.0 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.32 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.38 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.32 85.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . 0.743 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -69.17 -36.78 77.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.43 -179.701 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.762 HG11 ' HB1' ' C' ' 608' ' ' ALA . 74.6 t -66.49 -36.84 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.608 -179.561 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.63 84.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.15 0.5 . . . . 0.0 111.772 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 615' ' ' GLN . 3.5 mt-10 -60.17 -37.83 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.468 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.559 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.2 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' C' ' 612' ' ' LEU . 4.1 mmt180 -55.05 -46.44 75.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.2 t -69.34 -29.44 67.25 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.63 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 611' ' ' GLU . 2.0 mt-30 -68.83 -43.52 75.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.405 HG21 ' OE1' ' C' ' 615' ' ' GLN . 4.0 m -68.75 -37.28 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -62.76 -49.74 73.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.342 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.681 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -61.12 -46.94 88.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 -179.776 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.44 ' HA ' HD12 ' A' ' 623' ' ' ILE . 1.0 OUTLIER -62.26 -34.31 76.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.856 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 5.9 m -67.4 -34.67 77.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 619' ' ' LEU . 9.1 mt -63.93 -44.78 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.619 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.485 ' H ' HG13 ' A' ' 623' ' ' ILE . 1.5 mt -66.17 -34.96 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.52 -50.79 62.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -45.81 91.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.977 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.589 ' SD ' HG22 ' A' ' 622' ' ' ILE . 3.9 mtt -61.2 -37.5 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.502 ' NZ ' ' HB3' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -65.24 -41.72 94.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.085 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . 0.488 ' HB3' HH12 ' A' ' 632' ' ' ARG . 0.7 OUTLIER -63.86 -39.16 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.815 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.505 ' HB3' ' NZ ' ' B' ' 627' ' ' LYS . 7.2 tp-100 -60.92 -49.51 77.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -61.56 -34.55 75.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.88 -32.05 68.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . 0.488 HH12 ' HB3' ' A' ' 628' ' ' ASP . 0.1 OUTLIER -65.51 -44.48 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.016 179.643 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.53 -39.3 88.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.048 0.451 . . . . 0.0 111.951 -179.054 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 638' ' ' LEU . 6.8 mt -63.59 -38.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.12 179.215 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -44.71 87.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.496 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -32.96 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.2 mt -66.05 -40.36 90.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.5 mt -64.89 -38.16 90.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.113 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -38.51 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.727 ' HG2' HD22 ' B' ' 641' ' ' LEU . 65.9 tt0 -65.61 -42.87 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.833 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.85 -43.42 96.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.795 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -34.17 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.519 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -66.38 -42.53 87.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.223 179.288 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.592 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 11.0 tt0 -72.18 -33.85 67.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.52 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -41.29 97.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.7 mt -70.97 -44.0 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 111.194 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.595 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.6 ttp-105 -58.75 -37.63 76.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.065 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.49 -44.78 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 650' ' ' ARG . 5.3 tmm_? -61.47 -34.68 75.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.918 ' O ' HG23 ' A' ' 655' ' ' VAL . 19.9 tp -66.07 -36.81 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.437 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.81 79.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.127 -179.791 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.278 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.82 87.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.495 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 651' ' ' LEU . 13.9 t -66.22 -47.96 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.175 -179.42 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.86 -46.82 83.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.5 mt -71.28 -35.93 59.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.658 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.74 -44.05 74.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.31 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.53 91.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.77 72.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' C' ' 662' ' ' LEU . 0.9 OUTLIER -63.67 -27.68 69.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 179.628 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -39.32 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.9 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -42.33 96.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.3 85.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . 0.742 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -69.05 -36.83 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.743 HG11 ' HB1' ' A' ' 608' ' ' ALA . 74.4 t -66.49 -36.85 78.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.62 84.66 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 111.769 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' B' ' 615' ' ' GLN . 3.5 mt-10 -60.25 -37.73 81.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 179.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.543 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.19 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.559 ' HG2' HD21 ' A' ' 612' ' ' LEU . 4.1 mmt180 -55.09 -46.5 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.2 t -69.33 -29.37 67.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.638 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 611' ' ' GLU . 2.0 mt-30 -68.85 -43.49 75.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.987 0.422 . . . . 0.0 111.087 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.403 HG21 ' OE1' ' A' ' 615' ' ' GLN . 4.0 m -68.79 -37.24 77.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -62.83 -49.69 73.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.384 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -69.35 -29.62 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 179.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.703 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.2 OUTLIER -61.12 -46.99 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.985 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' B' ' 623' ' ' ILE . 1.0 OUTLIER -62.14 -34.42 76.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.38 -34.59 77.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 179.498 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' B' ' 619' ' ' LEU . 9.2 mt -63.95 -44.87 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.557 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.492 ' H ' HG13 ' B' ' 623' ' ' ILE . 1.5 mt -66.11 -35.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.17 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.4 -50.92 61.83 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.56 -45.87 90.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.597 ' SD ' HG22 ' B' ' 622' ' ' ILE . 3.9 mtt -61.22 -37.4 82.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.864 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -65.35 -41.66 93.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.847 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . 0.484 ' HB3' HH12 ' B' ' 632' ' ' ARG . 0.7 OUTLIER -63.81 -39.29 93.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.046 -179.868 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.499 ' HB3' ' NZ ' ' C' ' 627' ' ' LYS . 7.2 tp-100 -60.86 -49.46 77.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.741 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -61.67 -34.56 75.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 -179.734 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.402 ' HG3' ' OE1' ' A' ' 630' ' ' GLN . 6.2 mttp -70.8 -32.07 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.484 HH12 ' HB3' ' B' ' 628' ' ' ASP . 0.1 OUTLIER -65.54 -44.37 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.022 179.642 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.65 -39.24 88.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 111.93 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.651 ' O ' HD12 ' B' ' 638' ' ' LEU . 6.9 mt -63.62 -38.45 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.14 179.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -44.82 87.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.44 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.527 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.2 mt -66.0 -40.41 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.651 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.6 mt -64.85 -38.14 89.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.5 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.712 ' HG2' HD22 ' C' ' 641' ' ' LEU . 65.8 tt0 -65.62 -42.83 91.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.5 OUTLIER -63.89 -43.44 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.724 179.586 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.488 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.425 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -66.32 -42.52 88.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.298 179.237 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.592 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 11.0 tt0 -72.22 -33.89 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.46 -43.13 99.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.754 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.8 mt -71.01 -43.97 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 111.164 -179.637 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.592 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -58.72 -37.69 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.063 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.44 -44.9 85.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.64 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 650' ' ' ARG . 5.3 tmm_? -61.42 -34.7 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.691 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.925 ' O ' HG23 ' B' ' 655' ' ' VAL . 19.9 tp -66.06 -36.79 84.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.741 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.447 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.1 OUTLIER -56.32 -43.82 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.108 -179.768 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -40.71 96.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.881 0.372 . . . . 0.0 111.367 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.83 87.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 179.569 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 651' ' ' LEU . 13.8 t -66.15 -48.0 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 -179.484 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.46 -28.7 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.91 -46.83 83.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.5 mt -71.28 -35.91 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.66 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.77 -44.05 74.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.43 90.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.66 72.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.301 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.598 ' HG ' HD11 ' C' ' 662' ' ' LEU . 0.9 OUTLIER -63.61 -27.71 69.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -39.32 62.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.422 ' O ' HG23 ' C' ' 609' ' ' VAL . 4.0 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.37 -42.32 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.28 -37.29 84.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -69.15 -36.74 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.742 HG11 ' HB1' ' B' ' 608' ' ' ALA . 74.2 t -66.54 -36.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.39 -38.6 84.46 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.131 0.491 . . . . 0.0 111.784 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' C' ' 615' ' ' GLN . 3.5 mt-10 -60.28 -37.76 81.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.41 179.446 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -70.86 -38.16 73.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 111.092 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.543 ' HG2' HD21 ' B' ' 612' ' ' LEU . 4.1 mmt180 -55.05 -46.51 75.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 5.2 t -69.37 -29.42 67.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.631 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' C' ' 611' ' ' GLU . 2.0 mt-30 -68.81 -43.45 75.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 111.163 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.405 HG21 ' OE1' ' B' ' 615' ' ' GLN . 4.0 m -68.87 -37.17 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -62.9 -49.67 73.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.304 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -69.38 -29.52 67.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.2 OUTLIER -61.22 -46.98 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.83 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.451 ' HA ' HD12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -62.12 -34.38 76.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.981 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.51 -34.54 77.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' C' ' 619' ' ' LEU . 9.2 mt -63.9 -44.85 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.652 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.5 mt -66.17 -34.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.219 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.53 -50.87 61.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -45.88 90.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.587 ' SD ' HG22 ' C' ' 622' ' ' ILE . 3.8 mtt -61.23 -37.43 83.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.499 ' NZ ' ' HB3' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.858 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . 0.494 ' HB3' HH12 ' C' ' 632' ' ' ARG . 0.7 OUTLIER -63.89 -39.22 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.899 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.502 ' HB3' ' NZ ' ' A' ' 627' ' ' LYS . 7.2 tp-100 -60.85 -49.51 77.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.811 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -34.58 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.401 ' HG3' ' OE1' ' B' ' 630' ' ' GLN . 6.2 mttp -70.77 -32.11 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . 0.494 HH12 ' HB3' ' C' ' 628' ' ' ASP . 0.1 OUTLIER -65.53 -44.47 86.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.953 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.52 -39.36 88.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 111.935 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.642 ' O ' HD12 ' C' ' 638' ' ' LEU . 6.9 mt -63.57 -38.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.098 179.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -44.73 87.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -33.05 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.2 mt -65.99 -40.44 91.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.781 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.642 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.5 mt -64.8 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.749 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -38.51 89.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.721 ' HG2' HD22 ' A' ' 641' ' ' LEU . 65.8 tt0 -65.58 -42.91 91.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.82 -43.52 96.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.745 179.574 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -34.27 76.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.522 -179.382 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.417 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -66.25 -42.68 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.224 179.282 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.595 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 11.0 tt0 -72.16 -33.86 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.55 -43.16 99.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.663 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.28 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.231 -179.618 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.7 mt -70.94 -43.95 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.114 0.483 . . . . 0.0 111.253 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.592 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.6 ttp-105 -58.8 -37.65 76.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.022 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.4 -44.89 86.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -61.41 -34.7 75.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.921 ' O ' HG23 ' C' ' 655' ' ' VAL . 19.9 tp -66.0 -36.82 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.446 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.85 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.191 -179.838 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -40.74 96.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.58 -37.79 87.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.524 179.59 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.921 HG23 ' O ' ' C' ' 651' ' ' LEU . 13.7 t -66.14 -48.03 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.43 -28.68 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.94 -46.86 82.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.716 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.5 mt -71.31 -35.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.662 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.76 -44.09 74.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -38.55 91.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . 0.598 HD11 ' HG ' ' B' ' 662' ' ' LEU . 0.9 OUTLIER -63.65 -27.7 69.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.53 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -39.36 62.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -17.35 54.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.615 ' O ' HG23 ' A' ' 609' ' ' VAL . 58.2 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -65.61 -44.07 87.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.85 -43.7 90.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . 0.644 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -63.36 -32.04 73.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.416 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.65 HG11 ' HB1' ' C' ' 608' ' ' ALA . 83.1 t -65.75 -35.47 75.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.563 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.3 OUTLIER -61.1 -32.49 72.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 111.838 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.73 -39.82 91.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.442 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.524 ' HB3' ' HG ' ' C' ' 612' ' ' LEU . 2.2 mm? -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.563 ' HG3' ' HA ' ' A' ' 610' ' ' GLU . 5.1 mtt180 -59.25 -45.46 91.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -71.05 -37.4 72.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.608 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.41 -50.65 70.66 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 111.123 -179.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 612' ' ' LEU . 30.3 m -63.39 -43.59 98.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.415 ' N ' HG23 ' A' ' 616' ' ' VAL . 1.5 tpp180 -56.42 -52.12 65.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.389 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.58 -33.65 76.42 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 179.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.83 -48.31 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -62.02 -41.02 97.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.907 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -62.0 -34.47 76.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.98 -45.75 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.603 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 620' ' ' ARG . 2.0 mt -67.51 -34.19 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.98 -52.77 54.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -179.38 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.25 -38.44 90.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.013 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.56 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 4.1 mtt -60.6 -44.15 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.57 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.1 OUTLIER -67.72 -35.93 79.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . 0.544 ' HB3' ' NH2' ' A' ' 632' ' ' ARG . 0.7 OUTLIER -67.24 -40.48 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.004 -179.814 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.447 ' HB3' ' HZ1' ' B' ' 627' ' ' LYS . 0.5 OUTLIER -66.48 -46.13 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.538 ' OE1' ' HA ' ' A' ' 630' ' ' GLN . 0.4 OUTLIER -64.89 -37.99 89.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.804 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 1.8 tttp -61.02 -41.3 96.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . 0.544 ' NH2' ' HB3' ' A' ' 628' ' ' ASP . 6.3 mtm180 -64.18 -37.61 88.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.98 179.669 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' B' ' 634' ' ' ILE . 3.6 mt-10 -63.27 -41.66 99.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.065 0.46 . . . . 0.0 111.891 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.632 HG23 HD12 ' C' ' 637' ' ' LEU . 61.6 mt -67.79 -47.64 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.101 179.242 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -52.8 -49.04 66.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.444 -179.541 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -39.94 78.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.921 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.624 HD12 HG23 ' B' ' 634' ' ' ILE . 1.0 OUTLIER -62.93 -35.39 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.688 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -40.87 96.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.31 -36.11 78.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.39 -40.17 89.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.011 0.434 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -43.74 86.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.746 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.02 -39.8 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.484 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 tp10 -60.69 -41.58 95.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.203 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.486 ' HG3' ' HE2' ' B' ' 645' ' ' LYS . 0.3 OUTLIER -65.35 -32.92 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.856 179.88 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.482 ' HE2' ' HG3' ' C' ' 644' ' ' GLU . 18.1 mmtt -65.73 -36.77 84.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.27 -48.41 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -64.96 -40.2 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.065 0.46 . . . . 0.0 111.211 -179.656 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.486 ' HE ' HE22 ' A' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.09 90.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -43.58 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -63.32 -34.81 78.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.687 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' B' ' 652' ' ' GLN . 13.7 tp -64.05 -44.87 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.799 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.0 OUTLIER -53.58 -41.83 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 -179.764 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.76 -40.64 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.302 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.96 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.59 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 651' ' ' LEU . 60.1 t -60.07 -46.96 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.14 -179.548 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.71 -29.08 69.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.32 -46.5 76.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.4 mt -67.09 -38.59 81.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.726 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.06 -41.82 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.83 76.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.328 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -27.88 68.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.54 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.84 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 179.967 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.627 ' O ' HG23 ' B' ' 609' ' ' VAL . 58.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -65.65 -44.01 87.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.79 90.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -63.32 -31.98 73.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.644 HG11 ' HB1' ' A' ' 608' ' ' ALA . 83.0 t -65.82 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 -179.479 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . 0.565 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.3 OUTLIER -61.2 -32.62 72.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.167 0.508 . . . . 0.0 111.764 179.651 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.51 -39.92 92.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 2.2 mm? -71.03 -33.79 70.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.565 ' HG3' ' HA ' ' B' ' 610' ' ' GLU . 5.1 mtt180 -59.3 -45.48 91.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.013 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -71.11 -37.25 72.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.664 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.46 -50.71 70.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.997 0.427 . . . . 0.0 111.171 -179.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.448 HG22 ' O ' ' B' ' 612' ' ' LEU . 30.2 m -63.3 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.416 ' N ' HG23 ' B' ' 616' ' ' VAL . 1.5 tpp180 -56.41 -52.19 65.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.277 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.55 -33.6 76.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -55.84 -48.33 75.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -62.08 -40.97 97.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.99 -34.44 76.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.02 -45.7 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.636 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' B' ' 620' ' ' ARG . 2.0 mt -67.6 -34.09 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.09 -52.7 54.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.35 -38.39 89.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.957 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.562 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 4.2 mtt -60.58 -44.14 96.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.56 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.1 OUTLIER -67.79 -35.89 79.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.839 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . 0.546 ' HB3' ' NH2' ' B' ' 632' ' ' ARG . 0.7 OUTLIER -67.34 -40.36 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 -179.781 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.482 ' HB3' ' HZ1' ' C' ' 627' ' ' LYS . 0.4 OUTLIER -66.5 -46.09 77.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.669 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.548 ' HA ' ' OE1' ' B' ' 630' ' ' GLN . 0.4 OUTLIER -65.01 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.729 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.402 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 1.8 tttp -61.07 -41.25 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.546 ' NH2' ' HB3' ' B' ' 628' ' ' ASP . 6.3 mtm180 -64.12 -37.68 88.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.983 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.5 ' HB2' HD13 ' C' ' 634' ' ' ILE . 3.6 mt-10 -63.26 -41.64 99.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.025 0.44 . . . . 0.0 111.882 -179.012 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.624 HG23 HD12 ' A' ' 637' ' ' LEU . 61.5 mt -67.76 -47.61 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.083 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -52.95 -49.01 66.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.405 -179.434 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -39.96 78.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.648 HD12 HG23 ' C' ' 634' ' ' ILE . 1.0 OUTLIER -62.91 -35.33 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.598 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -40.86 95.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 2.5 t -68.34 -35.97 78.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.79 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.5 -40.23 89.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.735 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.93 -39.82 86.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.528 -179.363 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . 0.544 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 tp10 -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.233 179.256 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.493 ' HG3' ' HE2' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -65.33 -32.92 74.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.486 ' HE2' ' HG3' ' A' ' 644' ' ' GLU . 18.2 mmtt -65.72 -36.71 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.35 -48.37 73.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -64.95 -40.27 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.16 -179.651 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.479 ' HE ' HE22 ' B' ' 652' ' ' GLN . 9.6 ttp-105 -63.79 -45.26 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -43.57 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.83 78.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.802 HD13 ' HG3' ' C' ' 652' ' ' GLN . 13.7 tp -64.09 -44.84 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.76 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.0 OUTLIER -53.56 -41.84 66.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.184 -179.824 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -40.7 93.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.337 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . 0.481 ' O ' HG13 ' B' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.99 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.551 179.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 651' ' ' LEU . 60.2 t -60.02 -46.9 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 111.21 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.72 -29.11 69.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.28 -46.51 76.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.4 mt -67.19 -38.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.633 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.09 -41.76 90.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.79 -35.83 80.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.87 76.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.363 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.93 68.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.88 31.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.624 ' O ' HG23 ' C' ' 609' ' ' VAL . 58.3 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.794 0.33 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -65.78 -43.92 87.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.7 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . 0.65 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -63.32 -32.01 73.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.405 -179.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.651 HG11 ' HB1' ' B' ' 608' ' ' ALA . 82.9 t -65.73 -35.5 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.554 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . 0.548 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.3 OUTLIER -61.13 -32.56 72.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.073 0.463 . . . . 0.0 111.79 179.605 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.64 -39.87 91.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.527 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 2.2 mm? -70.99 -33.91 70.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.548 ' HG3' ' HA ' ' C' ' 610' ' ' GLU . 5.2 mtt180 -59.26 -45.45 91.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.027 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -71.06 -37.36 72.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.652 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.43 -50.73 70.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 -179.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.44 HG22 ' O ' ' C' ' 612' ' ' LEU . 30.1 m -63.21 -43.7 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . 0.409 ' N ' HG23 ' C' ' 616' ' ' VAL . 1.5 tpp180 -56.39 -52.16 65.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.57 -33.62 76.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.439 ' HB3' HD22 ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.89 -48.28 75.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.986 -179.837 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -61.97 -41.03 97.56 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.862 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.97 -34.52 76.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 50.3 mt -69.0 -45.73 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' C' ' 620' ' ' ARG . 2.0 mt -67.54 -34.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.02 -52.74 54.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.253 -179.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.29 -38.36 90.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.02 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.57 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 4.2 mtt -60.6 -44.14 96.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.1 OUTLIER -67.72 -35.98 79.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 -179.87 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . 0.549 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.7 OUTLIER -67.26 -40.36 86.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -179.803 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.4 ' HB3' ' HZ1' ' A' ' 627' ' ' LYS . 0.4 OUTLIER -66.52 -46.14 77.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.774 179.694 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.4 OUTLIER -64.96 -37.93 89.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.001 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 1.8 tttp -61.08 -41.28 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . 0.549 ' NH2' ' HB3' ' C' ' 628' ' ' ASP . 6.3 mtm180 -64.15 -37.66 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' A' ' 634' ' ' ILE . 3.6 mt-10 -63.24 -41.67 99.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 0.0 111.909 -179.027 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.648 HG23 HD12 ' B' ' 637' ' ' LEU . 61.5 mt -67.76 -47.6 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.129 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -52.89 -48.99 66.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.442 -179.535 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -39.82 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.995 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 634' ' ' ILE . 1.0 OUTLIER -63.04 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.755 179.584 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -40.82 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.115 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.29 -36.07 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.45 -40.1 89.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -43.65 86.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.789 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.13 -39.71 87.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.473 -179.323 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . 0.541 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 tp10 -60.71 -41.61 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.173 179.266 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.482 ' HG3' ' HE2' ' A' ' 645' ' ' LYS . 0.3 OUTLIER -65.25 -32.95 74.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.903 179.859 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.493 ' HE2' ' HG3' ' B' ' 644' ' ' GLU . 18.1 mmtt -65.74 -36.71 84.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.3 -48.34 73.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.289 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.541 HG13 ' O ' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -64.94 -40.22 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 121.119 0.485 . . . . 0.0 111.215 -179.674 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.471 ' HE ' HE22 ' C' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.2 90.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.048 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -43.57 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.82 78.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.713 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.799 HD13 ' HG3' ' A' ' 652' ' ' GLN . 13.8 tp -64.07 -44.92 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.74 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.802 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.0 OUTLIER -53.51 -41.8 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 -179.796 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -40.64 93.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . 0.481 ' O ' HG13 ' C' ' 658' ' ' ILE . 32.3 tt0 -67.55 -42.03 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.454 HG23 ' O ' ' C' ' 651' ' ' LEU . 60.2 t -59.95 -46.9 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.999 0.428 . . . . 0.0 111.24 -179.578 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.81 -29.09 69.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.23 -46.54 76.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 179.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.481 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.4 mt -67.18 -38.56 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.681 -179.657 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.14 -41.71 90.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.323 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.85 -35.81 80.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.86 76.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.89 68.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.67 -27.82 31.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 15.5 m -74.4 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.772 0.32 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -63.62 -46.83 83.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.13 76.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -64.87 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.445 -179.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 1.038 HG11 ' HB1' ' C' ' 608' ' ' ALA . 85.0 t -68.8 -38.36 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.553 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.503 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.9 OUTLIER -55.26 -48.84 73.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 179.706 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 614' ' ' THR . 4.0 mt-10 -59.71 -34.03 72.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.668 HD21 ' HG2' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -70.26 -32.43 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.129 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.653 ' HG2' HD21 ' C' ' 612' ' ' LEU . 4.4 mtt180 -61.85 -46.24 90.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' A' ' 611' ' ' GLU . 1.5 t -64.6 -32.08 73.58 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.652 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . 0.409 ' HB3' HH22 ' B' ' 620' ' ' ARG . 2.0 mm-40 -68.02 -46.43 71.22 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.05 0.453 . . . . 0.0 111.157 -179.438 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.562 ' HB ' HH22 ' A' ' 620' ' ' ARG . 5.9 m -64.96 -39.98 87.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -54.8 33.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.738 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -58.57 -39.4 80.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.586 ' HA ' HD12 ' A' ' 622' ' ' ILE . 19.1 mt -56.18 -43.38 78.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.562 HH22 ' HB ' ' A' ' 616' ' ' VAL . 3.4 ttm105 -66.5 -32.78 74.35 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.04 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.04 -33.03 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 619' ' ' LEU . 64.7 mt -64.7 -49.42 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.613 -179.673 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.3 mt -61.39 -36.42 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.21 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.357 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.18 87.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.051 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.531 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 29.9 mtt -68.87 -35.53 77.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.809 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 3.1 tmtm? -65.28 -37.37 86.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.57 -39.56 67.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.0 OUTLIER -64.74 -41.86 95.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.794 179.684 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -43.84 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 2.5 mttp -64.76 -34.53 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -62.05 -39.39 92.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.983 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 25.4 mt-10 -72.45 -44.14 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.461 . . . . 0.0 111.904 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.32 -42.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.079 179.28 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . 0.513 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.52 -40.96 98.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.527 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -37.49 80.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' B' ' 638' ' ' LEU . 6.5 mt -68.32 -33.48 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.63 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.631 ' HA ' HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -63.37 -46.8 84.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.729 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -33.35 75.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.606 ' HB3' HD13 ' B' ' 641' ' ' LEU . 13.5 tt0 -66.81 -44.1 82.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' C' ' 640' ' ' GLU . 1.0 OUTLIER -65.97 -32.48 73.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.742 179.579 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.45 -44.84 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.69 -45.87 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.271 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 179.895 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.483 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 17.1 mmtt -64.08 -44.08 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -45.0 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.45 -38.77 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.026 0.441 . . . . 0.0 111.175 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 644' ' ' GLU . 0.0 OUTLIER -65.86 -40.06 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.009 -179.789 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -37.92 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.41 91.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.892 ' O ' HG23 ' A' ' 655' ' ' VAL . 9.9 tp -60.9 -40.46 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.425 ' OE1' HD22 ' C' ' 651' ' ' LEU . 0.6 OUTLIER -59.59 -42.13 91.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.122 -179.8 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -45.16 93.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.275 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.04 -42.9 99.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.536 179.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.2 t -65.23 -40.97 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.148 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -60.96 -41.08 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.02 -46.37 81.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.6 HD11 ' HD2' ' B' ' 659' ' ' LYS . 9.1 mt -61.13 -43.88 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.68 -179.689 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.595 ' HD2' HD11 ' C' ' 658' ' ' ILE . 10.1 tttt -67.09 -36.54 82.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -41.19 91.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.761 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.54 90.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.332 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.42 -29.6 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.992 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 43.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.761 0.315 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.58 -46.9 83.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.13 76.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . 1.011 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -64.78 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.473 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 608' ' ' ALA . 85.7 t -68.76 -38.32 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.69 -179.595 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . 0.49 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.9 OUTLIER -55.18 -48.84 73.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.209 0.528 . . . . 0.0 111.799 179.594 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.419 ' O ' ' CG2' ' B' ' 614' ' ' THR . 4.0 mt-10 -59.74 -34.08 72.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.433 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.683 HD21 ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -70.32 -32.35 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.04 -179.715 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.668 ' HG2' HD21 ' A' ' 612' ' ' LEU . 4.4 mtt180 -61.92 -46.29 89.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.956 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' B' ' 611' ' ' GLU . 1.5 t -64.59 -32.14 73.66 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.659 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.404 ' HB3' HH22 ' C' ' 620' ' ' ARG . 2.0 mm-40 -67.87 -46.46 71.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -179.522 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . 0.555 ' HB ' HH22 ' B' ' 620' ' ' ARG . 6.0 m -64.94 -40.01 87.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -54.82 32.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.296 -179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.5 -39.43 80.04 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' B' ' 622' ' ' ILE . 19.1 mt -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.007 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.555 HH22 ' HB ' ' B' ' 616' ' ' VAL . 3.4 ttm105 -66.6 -32.81 74.38 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.06 -33.02 65.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' B' ' 619' ' ' LEU . 64.5 mt -64.67 -49.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.643 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.3 mt -61.38 -36.38 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.238 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.79 -45.0 79.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -179.418 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -42.13 86.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.028 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.509 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 29.9 mtt -68.95 -35.45 76.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 3.1 tmtm? -65.3 -37.37 86.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.59 -39.62 67.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.057 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.0 OUTLIER -64.67 -41.95 95.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.794 179.702 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.45 -44.08 83.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 2.5 mttp -64.61 -34.59 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -62.03 -39.3 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.013 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 25.5 mt-10 -72.6 -44.11 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 111.852 -178.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.24 -42.36 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.13 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.476 -179.595 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -37.56 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.965 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' C' ' 638' ' ' LEU . 6.4 mt -68.31 -33.56 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 179.69 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HA ' HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -63.25 -46.84 84.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.119 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.611 ' HB3' HD13 ' C' ' 641' ' ' LEU . 13.6 tt0 -66.82 -44.14 81.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 640' ' ' GLU . 1.0 OUTLIER -65.89 -32.51 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.774 179.534 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 -44.79 77.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.559 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.82 -45.8 93.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.254 179.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -66.17 -32.31 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.946 179.83 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 17.1 mmtt -64.04 -44.11 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.88 -44.9 88.16 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.273 -179.662 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.45 -38.74 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.021 0.438 . . . . 0.0 111.243 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' B' ' 644' ' ' GLU . 0.0 OUTLIER -65.82 -40.04 91.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.088 -179.862 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.82 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.65 -39.47 91.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.632 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.874 ' O ' HG23 ' B' ' 655' ' ' VAL . 9.9 tp -60.89 -40.5 93.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.414 ' OE1' HD22 ' A' ' 651' ' ' LEU . 0.6 OUTLIER -59.51 -42.15 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.167 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -45.13 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.01 -42.93 99.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.874 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.2 t -65.22 -40.97 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 -179.454 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -60.97 -41.18 95.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.86 -46.44 81.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' C' ' 659' ' ' LYS . 9.1 mt -61.11 -43.89 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.655 -179.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.6 ' HD2' HD11 ' A' ' 658' ' ' ILE . 10.1 tttt -67.11 -36.58 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -41.15 91.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.59 90.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.308 -179.764 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -29.64 69.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.58 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 179.978 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.56 -46.83 84.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.22 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.8 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . 1.038 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -64.82 -33.64 76.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.497 -179.752 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 1.011 HG11 ' HB1' ' B' ' 608' ' ' ALA . 86.2 t -68.74 -38.36 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . 0.501 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.9 OUTLIER -55.17 -48.94 73.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.13 0.491 . . . . 0.0 111.752 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . 0.418 ' O ' ' CG2' ' C' ' 614' ' ' THR . 4.0 mt-10 -59.64 -34.15 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -70.25 -32.4 70.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 111.106 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.683 ' HG2' HD21 ' B' ' 612' ' ' LEU . 4.4 mtt180 -61.8 -46.26 90.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.031 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . 0.418 ' CG2' ' O ' ' C' ' 611' ' ' GLU . 1.5 t -64.69 -32.09 73.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.569 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . 0.412 ' HB3' HH22 ' A' ' 620' ' ' ARG . 2.0 mm-40 -67.94 -46.55 71.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 111.104 -179.44 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . 0.563 ' HB ' HH22 ' C' ' 620' ' ' ARG . 6.0 m -64.84 -40.04 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -54.82 32.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.345 -179.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.54 -39.39 80.05 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 179.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' C' ' 622' ' ' ILE . 19.1 mt -56.14 -43.48 78.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . 0.563 HH22 ' HB ' ' C' ' 616' ' ' VAL . 3.4 ttm105 -66.51 -32.75 74.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.3 m -73.07 -33.03 65.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.609 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' C' ' 619' ' ' LEU . 64.9 mt -64.7 -49.44 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.682 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.3 mt -61.44 -36.39 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.163 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.83 -45.0 79.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.22 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.17 87.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.019 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.511 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 29.9 mtt -68.91 -35.51 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 3.1 tmtm? -65.21 -37.39 87.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.63 -39.57 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.0 OUTLIER -64.72 -41.94 95.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.808 179.71 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -66.51 -43.98 83.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 2.5 mttp -64.75 -34.56 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -62.07 -39.3 91.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 25.4 mt-10 -72.56 -44.04 62.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 111.926 -179.037 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.32 -42.42 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.103 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -40.95 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.465 -179.552 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.57 80.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 638' ' ' LEU . 6.5 mt -68.23 -33.53 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.618 ' HA ' HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -63.38 -46.76 84.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.148 -179.693 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -33.33 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.597 ' HB3' HD13 ' A' ' 641' ' ' LEU . 13.5 tt0 -66.9 -44.14 81.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.992 0.425 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' B' ' 640' ' ' GLU . 1.0 OUTLIER -65.93 -32.42 73.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.759 179.573 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.54 -44.78 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.503 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.79 -45.81 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 179.274 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -66.2 -32.38 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.851 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 17.1 mmtt -64.01 -44.09 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.86 -44.94 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 -179.656 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.47 -38.8 77.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.043 0.449 . . . . 0.0 111.229 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' C' ' 644' ' ' GLU . 0.0 OUTLIER -65.79 -40.01 91.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.037 -179.808 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -37.92 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.39 91.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.672 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.871 ' O ' HG23 ' C' ' 655' ' ' VAL . 9.9 tp -60.87 -40.53 93.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' B' ' 651' ' ' LEU . 0.6 OUTLIER -59.52 -42.11 91.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.211 -179.809 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.336 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -62.11 -42.94 99.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.527 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.871 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.0 t -65.09 -41.06 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -61.0 -41.04 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.03 -46.34 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 179.585 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.595 HD11 ' HD2' ' A' ' 659' ' ' LYS . 9.1 mt -61.17 -43.9 97.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.656 -179.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.593 ' HD2' HD11 ' B' ' 658' ' ' ILE . 10.0 tttt -67.03 -36.55 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -41.24 91.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.57 90.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.304 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -29.75 69.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.55 37.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.02 -66.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 609' ' ' VAL . 1.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.05 -44.13 85.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.47 81.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . 0.54 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -64.65 -33.95 77.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.714 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 605' ' ' SER . 44.3 t -67.21 -33.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.653 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -38.46 82.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.151 0.5 . . . . 0.0 111.758 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.75 -38.9 92.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 612' ' ' LEU . . . . . 0.64 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.7 -40.6 84.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.118 -179.8 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.616 ' HG2' HD21 ' C' ' 612' ' ' LEU . 6.8 mtt180 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.026 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 7.0 t -70.42 -25.78 63.37 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.613 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.84 -47.1 63.99 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.977 0.417 . . . . 0.0 111.192 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.82 -39.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.69 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.324 -179.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.9 tp10 -63.37 -33.5 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 1.009 ' HA ' HD12 ' A' ' 622' ' ' ILE . 2.4 mt -61.38 -45.97 92.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 620' ' ' ARG . . . . . 0.4 ' HG3' HD21 ' C' ' 619' ' ' LEU . 1.3 mtm105 -61.19 -37.5 83.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 39.1 m -66.03 -35.05 79.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.64 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 1.009 HD12 ' HA ' ' A' ' 619' ' ' LEU . 26.6 mt -60.98 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.63 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 623' ' ' ILE . . . . . 0.669 HD13 HG12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.94 -33.31 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.236 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.11 -44.22 84.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -42.42 74.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.014 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 626' ' ' MET . . . . . 0.464 ' SD ' HG22 ' B' ' 623' ' ' ILE . 14.9 mtt -62.7 -40.63 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.441 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 1.4 tmtm? -67.56 -37.85 83.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.02 -39.21 83.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.72 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 630' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -67.59 -32.88 73.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.951 -179.772 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.22 -41.29 81.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.18 -40.07 93.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.001 179.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 633' ' ' GLU . . . . . 0.773 ' HB3' HG21 ' B' ' 634' ' ' ILE . 14.0 mt-10 -64.85 -42.09 95.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.038 0.447 . . . . 0.0 111.855 -179.059 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.788 HG21 ' HB3' ' C' ' 633' ' ' GLU . 98.1 mt -65.37 -42.14 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.062 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.465 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.8 76.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 637' ' ' LEU . . . . . 0.596 HD12 HG23 ' B' ' 634' ' ' ILE . 0.2 OUTLIER -63.34 -44.58 94.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 638' ' ' LEU . . . . . 0.549 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 1.3 mt -61.64 -36.69 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.731 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -41.92 98.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.796 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 640' ' ' GLU . . . . . 0.472 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.5 tt0 -65.16 -45.03 86.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.845 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 641' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -59.96 -40.86 90.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.799 179.576 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.4 -38.66 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.504 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.89 -47.99 75.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 644' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 647' ' ' ILE . 4.3 tt0 -62.54 -35.39 79.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.454 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 15.0 mmtt -59.69 -49.21 78.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.758 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -44.76 95.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.9 mt -64.16 -40.95 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 111.179 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 648' ' ' ARG . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 0.0 OUTLIER -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.745 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -40.46 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.7 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.76 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.723 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.851 HD11 HG21 ' B' ' 655' ' ' VAL . 11.6 tp -65.28 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 652' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' C' ' 651' ' ' LEU . 0.4 OUTLIER -62.83 -38.03 89.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 653' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 653' ' ' MET . 0.4 OUTLIER -59.99 -42.43 94.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.763 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.13 85.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.809 HG21 HD11 ' C' ' 651' ' ' LEU . 78.7 t -62.58 -44.54 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.24 -179.548 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.91 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.79 83.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.725 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.452 HG22 HG21 ' C' ' 658' ' ' ILE . 17.1 mt -65.47 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.632 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.646 ' HG2' ' NE2' ' A' ' 663' ' ' GLN . 10.6 tttm -64.19 -44.2 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.767 0.318 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.755 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.99 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.308 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -28.49 66.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.592 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 663' ' ' GLN . . . . . 0.646 ' NE2' ' HG2' ' A' ' 659' ' ' LYS . 13.9 mt-30 -80.11 -33.29 38.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . 0.638 ' O ' HG23 ' B' ' 609' ' ' VAL . 1.4 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.781 0.324 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -65.96 -44.21 85.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.49 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 608' ' ' ALA . . . . . 0.538 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -64.66 -33.91 77.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.407 -179.739 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 609' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 605' ' ' SER . 44.6 t -67.24 -33.17 61.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.528 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -38.37 82.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 111.8 179.62 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 611' ' ' GLU . . . . . 0.4 ' O ' HG22 ' B' ' 614' ' ' THR . 1.6 mt-10 -64.79 -38.9 92.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.438 179.427 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 612' ' ' LEU . . . . . 0.648 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 0.9 OUTLIER -67.77 -40.61 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.091 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 613' ' ' ARG . . . . . 0.609 ' HG2' HD21 ' A' ' 612' ' ' LEU . 6.8 mtt180 -54.64 -46.63 73.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 614' ' ' THR . . . . . 0.4 HG22 ' O ' ' B' ' 611' ' ' GLU . 6.9 t -70.46 -25.78 63.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.607 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.8 -47.19 63.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 111.144 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.81 -39.91 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -58.71 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.33 -179.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 618' ' ' GLU . . . . . 0.43 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.9 tp10 -63.28 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.982 179.631 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 619' ' ' LEU . . . . . 0.965 ' HA ' HD12 ' B' ' 622' ' ' ILE . 2.4 mt -61.43 -45.9 92.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.723 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 620' ' ' ARG . . . . . 0.408 ' HG3' HD21 ' A' ' 619' ' ' LEU . 1.3 mtm105 -61.29 -37.43 83.15 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.13 -34.99 79.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 622' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' B' ' 619' ' ' LEU . 26.5 mt -60.95 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.654 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 623' ' ' ILE . . . . . 0.658 HG12 HD13 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.97 -33.28 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.194 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.15 -44.26 84.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.262 -179.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -42.46 74.31 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.007 179.779 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 626' ' ' MET . . . . . 0.465 ' SD ' HG22 ' C' ' 623' ' ' ILE . 15.0 mtt -62.7 -40.62 97.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.796 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 1.4 tmtm? -67.48 -37.87 83.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.063 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -67.94 -39.3 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -42.68 85.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 630' ' ' GLN . . . . . 0.428 ' CG ' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -67.63 -32.87 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.755 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.27 -41.24 81.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.2 -40.05 93.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.988 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 633' ' ' GLU . . . . . 0.762 ' HB3' HG21 ' C' ' 634' ' ' ILE . 14.0 mt-10 -64.92 -42.06 95.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.054 0.454 . . . . 0.0 111.859 -178.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 634' ' ' ILE . . . . . 0.773 HG21 ' HB3' ' A' ' 633' ' ' GLU . 97.9 mt -65.36 -42.13 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.9 91.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.448 -179.525 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.77 76.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.957 179.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 637' ' ' LEU . . . . . 0.599 HD12 HG23 ' C' ' 634' ' ' ILE . 0.2 OUTLIER -63.28 -44.57 94.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.753 179.596 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 638' ' ' LEU . . . . . 0.551 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 1.3 mt -61.74 -36.55 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -41.97 98.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 640' ' ' GLU . . . . . 0.455 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.5 tt0 -65.07 -45.09 86.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.555 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -59.97 -40.86 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.787 179.591 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.45 -38.59 90.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.468 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.88 -48.04 75.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.251 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 644' ' ' GLU . . . . . 0.75 ' HA ' HD12 ' B' ' 647' ' ' ILE . 4.3 tt0 -62.42 -35.52 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 645' ' ' LYS . . . . . 0.472 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 15.0 mmtt -59.61 -49.3 78.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -44.8 94.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 647' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.9 mt -64.18 -40.98 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.039 0.447 . . . . 0.0 111.189 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 648' ' ' ARG . . . . . 0.574 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.0 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.68 -35.8 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.855 HD11 HG21 ' C' ' 655' ' ' VAL . 11.7 tp -65.23 -38.67 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.745 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 652' ' ' GLN . . . . . 0.477 ' OE1' ' HB2' ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.7 -38.18 89.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.144 -179.818 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 653' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' B' ' 653' ' ' MET . 0.4 OUTLIER -59.86 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 111.282 -179.684 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.0 85.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.527 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 655' ' ' VAL . . . . . 0.851 HG21 HD11 ' A' ' 651' ' ' LEU . 82.0 t -62.66 -44.6 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.53 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.77 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.34 -45.7 83.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.674 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 658' ' ' ILE . . . . . 0.449 HG21 HG22 ' C' ' 658' ' ' ILE . 17.3 mt -65.54 -39.12 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.609 -179.631 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 659' ' ' LYS . . . . . 0.647 ' HG2' ' NE2' ' B' ' 663' ' ' GLN . 10.6 tttm -64.17 -44.24 92.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -48.44 81.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.87 76.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.525 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 663' ' ' GLN . . . . . 0.647 ' NE2' ' HG2' ' B' ' 659' ' ' LYS . 14.1 mt-30 -80.06 -33.32 39.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 605' ' ' SER . . . . . 0.633 ' O ' HG23 ' C' ' 609' ' ' VAL . 1.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.832 0.349 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -65.97 -44.15 85.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.48 81.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . 0.538 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -64.63 -33.9 77.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.438 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 609' ' ' VAL . . . . . 0.633 HG23 ' O ' ' C' ' 605' ' ' SER . 44.6 t -67.24 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.629 -179.55 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -38.37 82.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 111.782 179.637 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.424 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.648 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.76 -40.63 84.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.078 -179.759 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 613' ' ' ARG . . . . . 0.598 ' HG2' HD21 ' B' ' 612' ' ' LEU . 6.8 mtt180 -54.58 -46.73 73.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 7.0 t -70.33 -25.86 63.5 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.81 -47.1 64.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.208 -179.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.92 -39.79 86.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.73 -52.88 63.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.393 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 618' ' ' GLU . . . . . 0.435 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.9 tp10 -63.35 -33.53 75.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.009 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 619' ' ' LEU . . . . . 0.985 ' HA ' HD12 ' C' ' 622' ' ' ILE . 2.3 mt -61.45 -45.89 92.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -61.3 -37.33 82.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.22 -34.99 79.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.618 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 622' ' ' ILE . . . . . 0.985 HD12 ' HA ' ' C' ' 619' ' ' LEU . 26.4 mt -60.93 -47.85 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.664 -179.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 623' ' ' ILE . . . . . 0.669 HG12 HD13 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -63.94 -33.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.03 -44.33 84.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.288 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -42.46 74.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.939 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 626' ' ' MET . . . . . 0.46 ' SD ' HG22 ' A' ' 623' ' ' ILE . 14.9 mtt -62.64 -40.69 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.809 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 627' ' ' LYS . . . . . 0.447 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 1.4 tmtm? -67.5 -37.85 83.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.0 -39.18 83.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.022 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.73 85.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.784 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 630' ' ' GLN . . . . . 0.428 ' HB3' ' CG ' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -67.6 -32.9 73.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.746 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -68.2 -41.28 81.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.953 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.788 ' HB3' HG21 ' A' ' 634' ' ' ILE . 13.9 mt-10 -64.93 -42.08 94.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.097 0.475 . . . . 0.0 111.871 -178.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 634' ' ' ILE . . . . . 0.762 HG21 ' HB3' ' B' ' 633' ' ' GLU . 97.9 mt -65.37 -42.13 92.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.073 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.92 90.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.441 -179.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -36.84 76.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 637' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 634' ' ' ILE . 0.2 OUTLIER -63.19 -44.65 94.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.802 179.582 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 638' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 1.3 mt -61.67 -36.64 81.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.694 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.747 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 640' ' ' GLU . . . . . 0.454 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 31.4 tt0 -65.05 -45.08 86.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.069 0.461 . . . . 0.0 110.926 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 641' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -59.94 -40.83 90.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.805 179.529 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.47 -38.59 90.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.512 -179.382 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.87 -48.1 75.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.22 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 644' ' ' GLU . . . . . 0.732 ' HA ' HD12 ' C' ' 647' ' ' ILE . 4.4 tt0 -62.44 -35.47 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.789 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 645' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 15.0 mmtt -59.64 -49.3 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -44.86 94.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 647' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.9 mt -64.21 -40.88 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.034 0.445 . . . . 0.0 111.225 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 648' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.0 OUTLIER -62.5 -42.4 99.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.041 -179.867 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -40.44 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.79 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.711 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.809 HD11 HG21 ' A' ' 655' ' ' VAL . 11.7 tp -65.23 -38.71 91.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 652' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' B' ' 651' ' ' LEU . 0.4 OUTLIER -62.69 -38.14 89.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.231 -179.868 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 653' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' C' ' 653' ' ' MET . 0.4 OUTLIER -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.279 -179.779 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.01 85.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.561 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 655' ' ' VAL . . . . . 0.855 HG21 HD11 ' B' ' 651' ' ' LEU . 80.9 t -62.63 -44.55 99.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.558 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.88 -34.8 78.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.78 83.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 658' ' ' ILE . . . . . 0.452 HG21 HG22 ' A' ' 658' ' ' ILE . 17.2 mt -65.48 -39.09 84.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.678 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 659' ' ' LYS . . . . . 0.648 ' HG2' ' NE2' ' C' ' 663' ' ' GLN . 10.6 tttm -64.26 -44.18 92.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -48.56 80.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.92 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -28.43 65.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.593 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 663' ' ' GLN . . . . . 0.648 ' NE2' ' HG2' ' C' ' 659' ' ' LYS . 13.9 mt-30 -80.12 -33.25 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.57 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.062 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.88 151.08 26.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 0.0 110.696 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.701 ' HA ' ' HA ' ' B' ' 611' ' ' GLU . 1.6 ttt 57.76 39.82 26.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.604 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -113.42 140.51 48.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.701 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.522 ' HA2' ' HG3' ' A' ' 598' ' ' LYS . . . -164.84 -1.62 0.04 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.778 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 2.3 tttp -70.04 -45.29 22.29 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 596' ' ' LYS . 93.2 Cg_endo -86.94 5.21 5.89 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.554 2.169 . . . . 0.0 113.002 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.522 ' HG3' ' HA2' ' A' ' 595' ' ' GLY . 0.1 OUTLIER -143.45 112.08 6.45 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.069 0.462 . . . . 0.0 111.406 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.1 51.03 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.607 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 606' ' ' GLN . 6.5 mt-10 -145.41 148.07 36.0 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.984 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.802 ' HD3' ' HA ' ' B' ' 603' ' ' ALA . 67.3 Cg_endo -73.56 156.43 49.56 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.476 2.117 . . . . 0.0 112.407 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -136.07 168.76 18.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.445 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.789 ' HA ' ' HD3' ' C' ' 601' ' ' PRO . . . -67.31 158.17 32.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.67 31.83 3.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.585 ' HB2' ' HA ' ' C' ' 601' ' ' PRO . 0.5 OUTLIER -68.38 -38.39 81.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.858 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' C' ' 600' ' ' GLU . 12.0 pt20 -72.36 -37.59 68.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.479 ' HB1' ' HA3' ' C' ' 595' ' ' GLY . . . -67.66 -37.56 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.818 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.48 91.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.422 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 605' ' ' SER . 2.6 m -67.5 -39.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.16 -37.57 85.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.196 0.522 . . . . 0.0 111.756 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' C' ' 593' ' ' MET . 2.5 mt-10 -72.68 -39.52 67.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' B' ' 613' ' ' ARG . 0.6 OUTLIER -67.84 -35.21 78.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.101 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.678 ' O ' ' HD2' ' A' ' 617' ' ' ARG . 2.9 mtt-85 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.025 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.43 -42.24 98.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.645 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -65.97 -37.37 85.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 619' ' ' LEU . 1.0 OUTLIER -61.23 -45.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.678 ' HD2' ' O ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.69 -39.97 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.336 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.8 tp10 -60.06 -34.45 73.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 622' ' ' ILE . 10.7 mt -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.99 -36.32 76.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.41 -36.08 76.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.758 HG22 HG21 ' B' ' 623' ' ' ILE . 54.2 mt -64.28 -43.02 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.623 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.726 HG21 HG22 ' C' ' 622' ' ' ILE . 16.4 mt -64.88 -41.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.241 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.33 71.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.238 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.473 HG22 ' NE2' ' A' ' 629' ' ' GLN . 2.2 m -62.21 -40.87 97.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.0 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.497 ' O ' ' HD3' ' A' ' 631' ' ' LYS . 39.0 tttp -65.0 -37.57 88.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -41.54 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.473 ' NE2' HG22 ' A' ' 625' ' ' THR . 1.4 mp0 -63.4 -46.82 84.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.575 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.0 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 -179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.662 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 0.3 OUTLIER -65.15 -37.89 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.79 -47.53 84.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.964 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.588 ' HB3' HG21 ' B' ' 634' ' ' ILE . 8.1 mm-40 -60.17 -37.27 79.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.052 0.453 . . . . 0.0 111.872 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' C' ' 633' ' ' GLU . 11.4 mt -63.9 -40.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.069 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.662 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 1.1 mpmm? -63.1 -42.98 99.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.26 90.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.16 -44.2 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' C' ' 637' ' ' LEU . 11.9 mt -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.29 -40.12 93.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.8 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.77 -42.57 95.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.985 0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.408 ' HG ' HD11 ' B' ' 641' ' ' LEU . 0.3 OUTLIER -64.57 -33.29 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.788 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . 0.589 ' O ' ' HD2' ' A' ' 646' ' ' LYS . 14.3 m-20 -65.66 -49.13 69.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.565 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 646' ' ' LYS . 3.3 mm-40 -63.36 -37.2 86.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.212 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -41.11 97.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 641' ' ' LEU . 4.2 mtpt -64.51 -34.18 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.589 ' HD2' ' O ' ' A' ' 642' ' ' ASP . 2.6 mttt -61.74 -41.65 97.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.401 ' HA ' ' HE ' ' A' ' 650' ' ' ARG . 9.8 mt -69.28 -42.13 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 111.151 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 648' ' ' ARG . 2.1 ttp-105 -61.19 -42.67 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 21.8 mt -59.12 -41.01 87.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 20.3 mtm180 -66.09 -37.57 86.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.844 HD22 ' HG2' ' B' ' 652' ' ' GLN . 26.9 tp -66.76 -36.94 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.844 ' HG2' HD22 ' C' ' 651' ' ' LEU . 4.1 mt-30 -62.06 -40.56 96.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 15.9 mtt -66.45 -38.69 87.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.267 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.74 -41.74 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.95 -33.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 111.247 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 48.5 m-20 -59.86 -38.55 82.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.51 -41.48 79.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.768 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.459 ' CG1' ' HE3' ' B' ' 659' ' ' LYS . 93.7 mt -67.08 -36.55 77.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.64 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.451 ' HE3' ' CG1' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -65.94 -40.85 91.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.749 0.309 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 3.9 mtpt -55.77 -51.22 68.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.925 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.66 -33.5 72.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.306 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 662' ' ' LEU . 0.2 OUTLIER -66.17 -29.23 69.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.492 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.96 -22.18 23.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.42 146.97 48.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.494 ' HG2' ' OXT' ' A' ' 665' ' ' LYS . 8.4 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.647 -0.181 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.89 151.1 26.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.999 0.428 . . . . 0.0 110.621 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . 0.685 ' HA ' ' HA ' ' C' ' 611' ' ' GLU . 1.6 ttt 57.77 39.79 26.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.57 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -113.35 140.51 47.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.783 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.51 ' HA2' ' HG3' ' B' ' 598' ' ' LYS . . . -164.83 -1.64 0.04 OUTLIER Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.782 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' B' ' 597' ' ' PRO . 2.3 tttp -70.12 -45.23 21.67 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.626 -0.138 . . . . 0.0 110.626 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' B' ' 596' ' ' LYS . 92.7 Cg_endo -86.95 5.28 5.86 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.56 2.173 . . . . 0.0 113.035 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.51 ' HG3' ' HA2' ' B' ' 595' ' ' GLY . 0.1 OUTLIER -143.5 112.1 6.44 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.065 0.46 . . . . 0.0 111.405 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.11 50.93 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.583 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' C' ' 606' ' ' GLN . 6.5 mt-10 -145.38 148.06 36.06 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.814 ' HD3' ' HA ' ' C' ' 603' ' ' ALA . 67.6 Cg_endo -73.5 156.43 49.85 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.444 2.096 . . . . 0.0 112.451 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -136.07 168.75 18.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.802 ' HA ' ' HD3' ' A' ' 601' ' ' PRO . . . -67.32 158.17 32.21 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.365 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.7 31.83 3.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.597 ' HB2' ' HA ' ' A' ' 601' ' ' PRO . 0.5 OUTLIER -68.4 -38.34 81.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.911 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 600' ' ' GLU . 12.1 pt20 -72.29 -37.75 68.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.502 ' HB1' ' HA3' ' A' ' 595' ' ' GLY . . . -67.65 -37.45 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.38 91.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.45 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 605' ' ' SER . 2.6 m -67.54 -39.9 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.21 -37.58 85.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.103 0.478 . . . . 0.0 111.725 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.701 ' HA ' ' HA ' ' A' ' 593' ' ' MET . 2.5 mt-10 -72.65 -39.51 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.94 -35.09 77.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.078 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.681 ' O ' ' HD2' ' B' ' 617' ' ' ARG . 2.9 mtt-85 -62.25 -41.09 98.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 5.8 m -61.49 -42.22 98.46 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.664 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.01 -37.35 85.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 111.156 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.661 ' HA ' HD12 ' B' ' 619' ' ' LEU . 1.0 OUTLIER -61.16 -45.65 98.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.681 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -67.72 -39.88 84.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.325 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.8 tp10 -60.13 -34.45 73.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.012 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' B' ' 616' ' ' VAL . 10.6 mt -65.98 -44.33 85.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.91 -36.25 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.0 p -69.43 -36.06 76.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.75 HG22 HG21 ' C' ' 623' ' ' ILE . 54.0 mt -64.4 -42.95 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.644 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.758 HG21 HG22 ' A' ' 622' ' ' ILE . 16.4 mt -64.91 -41.16 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -50.35 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.471 HG22 ' NE2' ' B' ' 629' ' ' GLN . 2.3 m -62.25 -40.76 97.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -39.6 90.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.492 ' O ' ' HD3' ' B' ' 631' ' ' LYS . 39.1 tttp -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -41.47 81.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.471 ' NE2' HG22 ' B' ' 625' ' ' THR . 1.4 mp0 -63.49 -46.77 84.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -65.04 -37.76 88.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.0 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.653 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 0.3 OUTLIER -65.18 -37.86 88.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.77 -47.51 84.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.958 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' C' ' 634' ' ' ILE . 8.1 mm-40 -60.11 -37.37 79.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.126 0.488 . . . . 0.0 111.888 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' A' ' 633' ' ' GLU . 11.4 mt -63.85 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.119 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.653 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -43.01 99.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.442 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -38.26 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' C' ' 637' ' ' LEU . 0.8 OUTLIER -64.13 -44.25 92.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.402 ' CD2' ' HG ' ' A' ' 637' ' ' LEU . 11.8 mt -65.55 -36.04 82.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.27 -40.11 93.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.801 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.73 -42.55 95.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.414 ' HG ' HD11 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -64.6 -33.3 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.751 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . 0.585 ' O ' ' HD2' ' B' ' 646' ' ' LYS . 14.3 m-20 -65.71 -49.19 69.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.463 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.524 ' HA ' ' HD2' ' B' ' 646' ' ' LYS . 3.3 mm-40 -63.28 -37.25 86.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.238 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -41.06 97.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' B' ' 641' ' ' LEU . 4.2 mtpt -64.55 -34.13 77.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.585 ' HD2' ' O ' ' B' ' 642' ' ' ASP . 2.6 mttt -61.67 -41.79 98.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.272 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.13 -42.19 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 111.219 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 2.2 ttp-105 -61.18 -42.71 99.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.97 -41.06 86.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 20.3 mtm180 -66.15 -37.55 85.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.843 HD22 ' HG2' ' C' ' 652' ' ' GLN . 26.7 tp -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.844 ' HG2' HD22 ' A' ' 651' ' ' LEU . 4.1 mt-30 -62.13 -40.58 96.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.157 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.41 -38.65 87.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 111.291 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.78 -41.67 98.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.99 -33.87 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 111.203 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 49.1 m-20 -59.81 -38.54 82.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.56 -41.38 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.449 ' CG1' ' HE3' ' C' ' 659' ' ' LYS . 93.4 mt -67.09 -36.6 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.676 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.459 ' HE3' ' CG1' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -65.89 -40.88 91.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.049 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 3.9 mtpt -55.79 -51.2 68.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.59 72.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 662' ' ' LEU . 0.2 OUTLIER -66.14 -29.23 69.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.491 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.94 -22.23 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.32 146.91 48.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.482 ' OXT' ' HG2' ' B' ' 665' ' ' LYS . 8.4 tttt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.88 151.09 26.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.64 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . 0.698 ' HA ' ' HA ' ' A' ' 611' ' ' GLU . 1.6 ttt 57.8 39.79 26.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.618 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.37 140.4 48.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.737 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.505 ' HA2' ' HG3' ' C' ' 598' ' ' LYS . . . -164.76 -1.63 0.04 OUTLIER Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.736 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.508 ' N ' ' CD ' ' C' ' 597' ' ' PRO . 2.3 tttp -70.18 -45.11 21.19 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 110.591 -0.151 . . . . 0.0 110.591 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' C' ' 596' ' ' LYS . 92.4 Cg_endo -86.99 5.28 5.85 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.556 2.171 . . . . 0.0 113.022 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.505 ' HG3' ' HA2' ' C' ' 595' ' ' GLY . 0.1 OUTLIER -143.53 111.99 6.38 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.071 0.462 . . . . 0.0 111.462 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.01 50.95 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 606' ' ' GLN . 6.4 mt-10 -145.36 148.09 36.22 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.984 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.789 ' HD3' ' HA ' ' A' ' 603' ' ' ALA . 67.0 Cg_endo -73.57 156.4 49.54 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.502 2.135 . . . . 0.0 112.399 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -136.08 168.73 18.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.431 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.814 ' HA ' ' HD3' ' B' ' 601' ' ' PRO . . . -67.24 158.14 32.14 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.998 0.428 . . . . 0.0 111.337 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.66 31.87 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.6 ' HB2' ' HA ' ' B' ' 601' ' ' PRO . 0.5 OUTLIER -68.43 -38.36 81.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.896 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 600' ' ' GLU . 12.1 pt20 -72.29 -37.62 68.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.498 ' HB1' ' HA3' ' B' ' 595' ' ' GLY . . . -67.7 -37.48 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.55 91.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.463 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.498 HG22 ' O ' ' C' ' 605' ' ' SER . 2.6 m -67.44 -39.94 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.614 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.08 -37.69 85.98 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.182 0.515 . . . . 0.0 111.788 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.685 ' HA ' ' HA ' ' B' ' 593' ' ' MET . 2.5 mt-10 -72.6 -39.49 67.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -67.9 -35.17 78.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.084 -179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.684 ' O ' ' HD2' ' C' ' 617' ' ' ARG . 3.0 mtt-85 -62.12 -41.13 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 5.7 m -61.51 -42.24 98.51 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.633 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -65.92 -37.46 86.12 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 111.131 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' C' ' 619' ' ' LEU . 1.0 OUTLIER -61.12 -45.59 98.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.684 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -67.73 -39.94 84.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.334 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.437 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.8 tp10 -59.98 -34.51 73.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.7 mt -66.05 -44.26 85.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 620' ' ' ARG . 6.1 ttm105 -59.9 -36.3 76.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.9 p -69.42 -36.07 76.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.726 HG22 HG21 ' A' ' 623' ' ' ILE . 53.8 mt -64.37 -42.99 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.585 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.75 HG21 HG22 ' B' ' 622' ' ' ILE . 16.6 mt -64.89 -41.17 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.204 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -50.35 71.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.244 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.474 HG22 ' NE2' ' C' ' 629' ' ' GLN . 2.2 m -62.24 -40.82 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.017 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.56 89.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.491 ' O ' ' HD3' ' C' ' 631' ' ' LYS . 39.0 tttp -64.97 -37.46 87.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -41.46 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.474 ' NE2' HG22 ' C' ' 625' ' ' THR . 1.4 mp0 -63.51 -46.78 84.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.575 ' HG2' ' HB3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.95 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.666 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 0.3 OUTLIER -65.1 -37.96 89.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -61.76 -47.45 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.013 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.583 ' HB3' HG21 ' A' ' 634' ' ' ILE . 8.1 mm-40 -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.074 0.464 . . . . 0.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.595 HG21 ' HB3' ' B' ' 633' ' ' GLU . 11.4 mt -63.8 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.09 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.666 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 1.1 mpmm? -63.07 -42.94 99.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.479 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.2 90.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.946 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' B' ' 637' ' ' LEU . 0.8 OUTLIER -64.2 -44.24 92.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.401 ' CD2' ' HG ' ' B' ' 637' ' ' LEU . 11.8 mt -65.55 -36.1 82.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 1.3 t -65.22 -40.08 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.81 -42.61 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.006 0.432 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -64.51 -33.31 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.777 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . 0.595 ' O ' ' HD2' ' C' ' 646' ' ' LYS . 14.3 m-20 -65.7 -49.13 69.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.543 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.511 ' HA ' ' HD2' ' C' ' 646' ' ' LYS . 3.3 mm-40 -63.31 -37.26 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.216 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.07 97.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' C' ' 641' ' ' LEU . 4.2 mtpt -64.6 -34.14 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.687 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.595 ' HD2' ' O ' ' C' ' 642' ' ' ASP . 2.6 mttt -61.77 -41.64 97.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.403 ' HA ' ' HE ' ' C' ' 650' ' ' ARG . 9.5 mt -69.16 -42.15 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.089 0.471 . . . . 0.0 111.209 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 2.2 ttp-105 -61.28 -42.63 98.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.08 -41.03 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.743 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 20.3 mtm180 -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.737 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.844 HD22 ' HG2' ' A' ' 652' ' ' GLN . 26.6 tp -66.75 -36.92 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.799 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.843 ' HG2' HD22 ' B' ' 651' ' ' LEU . 4.1 mt-30 -62.17 -40.43 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.184 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 16.0 mtt -66.55 -38.61 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.272 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.72 -41.71 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.0 -33.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.955 0.407 . . . . 0.0 111.175 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -59.88 -38.45 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.58 -41.46 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.451 ' CG1' ' HE3' ' A' ' 659' ' ' LYS . 93.6 mt -66.99 -36.67 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.604 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -65.85 -40.85 92.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 111.072 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -55.84 -51.25 68.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.362 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' C' ' 662' ' ' LEU . 0.2 OUTLIER -66.13 -29.21 69.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -89.05 -22.13 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.9 t -71.41 146.97 48.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.487 ' HG2' ' OXT' ' C' ' 665' ' ' LYS . 8.3 tttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.797 ' N ' ' HB2' ' C' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 51.5 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.24 134.14 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.612 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.48 136.79 44.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.718 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.497 ' O ' ' HD3' ' A' ' 597' ' ' PRO . . . 95.67 -26.31 20.77 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.745 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 98.68 8.96 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 595' ' ' GLY . 92.4 Cg_endo -85.96 161.85 10.32 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.618 2.212 . . . . 0.0 112.94 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' C' ' 604' ' ' SER . 0.0 OUTLIER -151.88 126.33 9.41 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.068 0.461 . . . . 0.0 111.447 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.89 107.04 9.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.579 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 1.9 mp0 -132.65 -68.61 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.8 Cg_endo -75.15 145.32 30.79 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.42 2.08 . . . . 0.0 112.417 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -108.73 117.47 34.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.362 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -153.57 174.87 13.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.36 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' B' ' 598' ' ' LYS . 3.8 m -55.94 -48.62 75.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 609' ' ' VAL . 30.1 t -59.57 -41.82 91.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 1.4 mm-40 -66.11 -35.67 81.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.806 ' HB2' ' N ' ' B' ' 591' ' ' GLY . . . -61.86 -40.04 93.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.73 99.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 609' ' ' VAL . 0.5 OUTLIER -62.29 -32.19 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.551 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.74 -39.76 66.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.158 0.504 . . . . 0.0 111.8 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.488 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.0 OUTLIER -62.28 -44.74 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.47 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' B' ' 613' ' ' ARG . 0.8 OUTLIER -63.14 -40.33 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.972 ' HA ' HD21 ' C' ' 612' ' ' LEU . 3.3 ttm105 -60.47 -41.32 93.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -44.53 96.79 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.668 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -70.0 -41.27 74.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.72 -46.17 97.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -45.09 94.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.452 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.3 tm-20 -68.51 -33.01 73.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.845 HD21 ' HG3' ' B' ' 620' ' ' ARG . 2.4 mt -66.41 -36.23 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.87 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.5 OUTLIER -63.36 -44.15 95.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.32 -33.43 75.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.566 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 626' ' ' MET . 71.3 mt -66.39 -44.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.665 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 620' ' ' ARG . 5.4 mt -62.58 -42.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.216 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -49.25 77.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.29 -35.28 76.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.992 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.606 ' SD ' HG22 ' A' ' 622' ' ' ILE . 4.1 mtt -66.96 -37.18 83.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.569 ' HG3' ' HG2' ' C' ' 626' ' ' MET . 1.0 OUTLIER -68.81 -30.52 69.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.067 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -51.59 22.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.041 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.454 HE21 ' HG3' ' A' ' 633' ' ' GLU . 28.8 tp60 -61.98 -36.5 81.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.619 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.83 -45.46 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.51 ' HE2' ' OE2' ' C' ' 633' ' ' GLU . 0.1 OUTLIER -67.45 -36.25 80.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -64.24 -47.45 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.985 179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.578 ' HB3' HG21 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -59.91 -44.15 94.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.457 . . . . 0.0 111.898 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.597 HG21 ' HB3' ' C' ' 633' ' ' GLU . 87.4 mt -63.13 -41.52 93.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.107 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.448 ' HA ' ' CE ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -60.28 -43.48 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.383 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.91 -39.91 87.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.716 HD11 HD12 ' B' ' 638' ' ' LEU . 2.5 mt -62.8 -35.27 79.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.699 HD12 HD11 ' C' ' 637' ' ' LEU . 0.3 OUTLIER -65.5 -46.42 79.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -39.12 91.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.756 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -43.31 98.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.007 0.432 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.619 HD22 ' HE2' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.809 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.27 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.476 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.583 ' HG2' HD11 ' A' ' 647' ' ' ILE . 53.9 tt0 -65.35 -42.59 92.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.4 92.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.619 ' HE2' HD22 ' A' ' 641' ' ' LEU . 43.4 mttm -61.22 -44.39 97.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.583 HD11 ' HG2' ' A' ' 643' ' ' GLU . 7.7 mt -66.81 -41.93 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 111.279 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 648' ' ' ARG . 0.9 OUTLIER -66.53 -36.52 82.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.017 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.55 -43.86 96.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.18 -33.35 75.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.68 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -62.32 -46.59 88.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.94 79.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.146 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.19 -43.13 96.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.332 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.64 -45.0 95.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.561 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.2 t -61.2 -35.08 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.429 ' O ' ' HD3' ' A' ' 660' ' ' LYS . 2.4 t30 -65.14 -41.62 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.12 -49.72 73.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.733 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.612 HG13 HD13 ' B' ' 662' ' ' LEU . 4.9 tt -64.16 -38.94 83.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -63.23 -37.78 88.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.096 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 656' ' ' ASN . 0.3 OUTLIER -64.08 -35.64 81.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 665' ' ' LYS . . . -75.99 -43.37 44.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.609 HD13 HG13 ' C' ' 658' ' ' ILE . 0.7 OUTLIER -62.18 -35.92 80.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.51 -27.98 41.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -54.22 19.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 661' ' ' ALA . 35.8 pttt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.806 ' N ' ' HB2' ' A' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.71 51.56 1.73 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.89 0.376 . . . . 0.0 110.622 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.2 134.2 46.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.558 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.55 136.77 44.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 95.7 -26.25 21.09 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.734 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.09 98.75 9.23 Favored Pre-proline 0 CA--C 1.531 0.25 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' B' ' 595' ' ' GLY . 93.5 Cg_endo -86.0 161.86 10.26 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.573 2.182 . . . . 0.0 112.954 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 604' ' ' SER . 0.0 OUTLIER -151.85 126.33 9.43 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.042 0.448 . . . . 0.0 111.426 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.89 107.04 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.52 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 1.9 mp0 -132.67 -68.52 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.948 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.8 Cg_endo -75.17 145.3 30.71 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.427 2.084 . . . . 0.0 112.396 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -108.65 117.44 34.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.361 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -153.52 174.9 13.82 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.329 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' C' ' 598' ' ' LYS . 3.9 m -56.04 -48.51 75.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 609' ' ' VAL . 30.1 t -59.64 -41.72 91.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.927 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 1.4 mm-40 -66.23 -35.63 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.792 ' HB2' ' N ' ' C' ' 591' ' ' GLY . . . -61.83 -40.09 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.802 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.7 99.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 605' ' ' SER . 0.5 OUTLIER -62.31 -32.14 53.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.71 -39.85 66.64 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.2 0.524 . . . . 0.0 111.775 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.488 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.0 OUTLIER -62.25 -44.72 95.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.485 179.42 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.965 HD21 ' HA ' ' C' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.36 97.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.967 ' HA ' HD21 ' A' ' 612' ' ' LEU . 3.3 ttm105 -60.35 -41.3 93.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -44.64 96.56 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.6 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.92 -41.28 74.84 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.997 0.427 . . . . 0.0 111.157 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.71 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -45.04 95.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.292 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.452 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.3 tm-20 -68.7 -32.88 73.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' C' ' 620' ' ' ARG . 2.4 mt -66.4 -36.3 82.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.845 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.5 OUTLIER -63.4 -44.13 95.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 89.2 p -65.28 -33.44 75.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.603 HG22 ' SD ' ' B' ' 626' ' ' MET . 71.2 mt -66.22 -45.11 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 111.617 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' B' ' 620' ' ' ARG . 5.3 mt -62.47 -42.66 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.231 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -49.18 77.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 20.4 m -61.3 -35.29 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.603 ' SD ' HG22 ' B' ' 622' ' ' ILE . 4.1 mtt -67.04 -37.05 83.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.568 ' HG3' ' HG2' ' A' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.49 69.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -51.6 22.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.457 HE21 ' HG3' ' B' ' 633' ' ' GLU . 28.9 tp60 -62.09 -36.4 81.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.84 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.619 ' HG2' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -66.91 -45.44 77.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.515 ' HE2' ' OE2' ' A' ' 633' ' ' GLU . 0.1 OUTLIER -67.47 -36.26 80.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -47.46 79.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.586 ' HB3' HG21 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -59.87 -44.28 94.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.108 0.48 . . . . 0.0 111.879 -178.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 633' ' ' GLU . 86.9 mt -63.05 -41.55 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.124 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -60.25 -43.46 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.441 -179.52 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -40.0 87.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.943 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.705 HD11 HD12 ' C' ' 638' ' ' LEU . 2.5 mt -62.8 -35.22 79.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 637' ' ' LEU . 0.3 OUTLIER -65.44 -46.52 79.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.19 91.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.776 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.3 98.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.624 HD22 ' HE2' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -66.71 -34.33 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.736 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.5 -42.24 98.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.52 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.585 ' HG2' HD11 ' B' ' 647' ' ' ILE . 53.8 tt0 -65.35 -42.65 92.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -42.34 92.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.624 ' HE2' HD22 ' B' ' 641' ' ' LEU . 43.4 mttm -61.15 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -43.53 98.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.585 HD11 ' HG2' ' B' ' 643' ' ' GLU . 7.8 mt -66.84 -41.93 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 111.196 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -36.4 82.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.96 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -64.13 -33.32 75.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.679 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.643 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -62.4 -46.65 87.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.653 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -38.04 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.195 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.24 -43.07 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.6 -45.09 95.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.594 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.1 t -61.11 -35.09 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.264 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' B' ' 660' ' ' LYS . 2.4 t30 -65.1 -41.66 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.14 -49.65 73.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.761 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.625 HG13 HD13 ' C' ' 662' ' ' LEU . 4.9 tt -64.25 -38.88 83.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.634 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -63.31 -37.72 88.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.81 0.338 . . . . 0.0 111.046 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' B' ' 656' ' ' ASN . 0.3 OUTLIER -64.04 -35.71 81.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 665' ' ' LYS . . . -76.01 -43.34 44.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 658' ' ' ILE . 0.7 OUTLIER -62.22 -35.84 80.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 179.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.58 -28.0 41.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -54.25 19.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 661' ' ' ALA . 35.8 pttt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.792 ' N ' ' HB2' ' B' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 51.51 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.64 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.24 134.17 46.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.582 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.57 136.79 44.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.7 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.496 ' O ' ' HD3' ' C' ' 597' ' ' PRO . . . 95.69 -26.28 20.93 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.731 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.03 98.63 8.94 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' C' ' 595' ' ' GLY . 92.8 Cg_endo -85.9 161.78 10.41 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.642 2.228 . . . . 0.0 113.038 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.538 ' HB3' ' HA ' ' B' ' 604' ' ' SER . 0.0 OUTLIER -151.81 126.38 9.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.99 0.424 . . . . 0.0 111.447 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.89 106.98 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.529 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 1.9 mp0 -132.58 -68.58 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.006 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.9 Cg_endo -75.15 145.33 30.81 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.417 2.078 . . . . 0.0 112.414 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -108.71 117.41 34.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.372 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -153.53 174.97 13.74 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.361 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' A' ' 598' ' ' LYS . 3.9 m -56.03 -48.56 75.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' C' ' 609' ' ' VAL . 30.2 t -59.66 -41.81 91.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.871 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 1.4 mm-40 -66.06 -35.71 81.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.797 ' HB2' ' N ' ' A' ' 591' ' ' GLY . . . -61.8 -40.12 94.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.84 99.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.451 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.436 HG23 ' H ' ' C' ' 609' ' ' VAL . 0.5 OUTLIER -62.23 -32.13 53.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.647 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.72 -39.79 66.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 111.837 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.485 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.0 OUTLIER -62.24 -44.74 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.451 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.972 HD21 ' HA ' ' A' ' 613' ' ' ARG . 0.8 OUTLIER -63.19 -40.38 97.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.09 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.965 ' HA ' HD21 ' B' ' 612' ' ' LEU . 3.3 ttm105 -60.41 -41.34 93.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.55 96.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.583 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.97 -41.29 74.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.165 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.76 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.09 94.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.289 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.436 ' O ' HG13 ' C' ' 622' ' ' ILE . 1.3 tm-20 -68.49 -33.02 73.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.87 HD21 ' HG3' ' A' ' 620' ' ' ARG . 2.4 mt -66.4 -36.23 82.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.019 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.879 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.5 OUTLIER -63.46 -44.08 95.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 89.1 p -65.26 -33.43 75.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.611 HG22 ' SD ' ' C' ' 626' ' ' MET . 71.0 mt -66.36 -45.02 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.031 0.443 . . . . 0.0 111.618 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' C' ' 620' ' ' ARG . 5.3 mt -62.4 -42.76 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -49.2 77.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.258 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 20.6 m -61.28 -35.29 76.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.978 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.611 ' SD ' HG22 ' C' ' 622' ' ' ILE . 4.1 mtt -66.99 -37.09 83.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.559 ' HG3' ' HG2' ' B' ' 626' ' ' MET . 1.0 OUTLIER -68.82 -30.48 69.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -51.54 23.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.465 HE21 ' HG3' ' C' ' 633' ' ' GLU . 28.7 tp60 -62.06 -36.47 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.796 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.618 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.93 -45.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.516 ' HE2' ' OE2' ' B' ' 633' ' ' GLU . 0.1 OUTLIER -67.48 -36.28 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.4 79.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.023 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -59.89 -44.28 94.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 111.853 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' B' ' 633' ' ' GLU . 87.1 mt -63.04 -41.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.136 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -60.2 -43.49 95.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.476 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.86 -39.99 87.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.005 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.699 HD11 HD12 ' A' ' 638' ' ' LEU . 2.5 mt -62.75 -35.21 79.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.753 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.705 HD12 HD11 ' B' ' 637' ' ' LEU . 0.3 OUTLIER -65.54 -46.52 79.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -39.07 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -43.35 97.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.602 HD22 ' HE2' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -66.51 -34.41 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' C' ' 647' ' ' ILE . 53.9 tt0 -65.25 -42.7 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.26 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -42.45 92.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.602 ' HE2' HD22 ' C' ' 641' ' ' LEU . 43.5 mttm -61.15 -44.45 97.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.29 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' C' ' 643' ' ' GLU . 7.7 mt -66.86 -42.0 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.059 0.457 . . . . 0.0 111.208 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 648' ' ' ARG . 0.9 OUTLIER -66.52 -36.45 82.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.065 -179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.52 -43.92 96.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.13 -33.3 75.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.646 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -62.39 -46.63 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.689 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -37.93 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.16 -43.15 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 111.33 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.63 -45.04 95.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.5 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.646 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.1 t -61.18 -35.02 62.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.027 0.442 . . . . 0.0 111.25 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' C' ' 660' ' ' LYS . 2.4 t30 -65.11 -41.71 94.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.19 -49.62 73.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.734 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.609 HG13 HD13 ' A' ' 662' ' ' LEU . 5.0 tt -64.21 -38.88 83.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.695 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -63.32 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' C' ' 656' ' ' ASN . 0.3 OUTLIER -64.1 -35.58 81.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -75.99 -43.42 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.625 HD13 HG13 ' B' ' 658' ' ' ILE . 0.7 OUTLIER -62.23 -35.82 80.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.548 179.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -79.54 -28.03 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -54.19 19.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 35.7 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.06 149.28 27.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.618 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.472 ' HG2' ' OE1' ' B' ' 611' ' ' GLU . 0.0 OUTLIER 54.72 44.38 28.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.603 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -106.81 144.19 33.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.678 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -147.87 -25.65 0.08 OUTLIER Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.707 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.2 OUTLIER -65.08 -48.61 70.16 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.57 -0.159 . . . . 0.0 110.57 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 596' ' ' LYS . 92.7 Cg_endo -83.3 -7.39 10.92 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.614 2.209 . . . . 0.0 113.001 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.97 84.72 2.14 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.05 0.453 . . . . 0.0 111.432 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.76 5.76 36.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.559 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -110.13 147.9 37.22 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.987 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.413 ' HA ' ' H ' ' B' ' 605' ' ' SER . 67.3 Cg_endo -72.55 145.46 42.16 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.382 2.055 . . . . 0.0 112.42 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . 0.422 ' HB2' ' NE2' ' B' ' 606' ' ' GLN . . . -111.55 158.92 18.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.391 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -70.88 153.71 42.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.291 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.93 37.64 0.38 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.752 ' O ' HG22 ' A' ' 609' ' ' VAL . 0.4 OUTLIER -66.66 -38.78 87.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.851 -179.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 8.4 pt20 -64.45 -34.31 77.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.23 64.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.58 89.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.434 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 605' ' ' SER . 4.7 m -66.36 -41.73 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 5.8 tt0 -61.52 -38.39 87.2 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.763 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.558 ' HB2' HH22 ' B' ' 613' ' ' ARG . 10.2 mm-40 -67.66 -35.54 79.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.0 mt -70.23 -42.01 72.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.57 HH22 ' HB2' ' C' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.77 73.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.992 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 8.8 m -57.77 -44.13 85.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.448 ' HB3' HG11 ' B' ' 616' ' ' VAL . 34.5 mt-30 -63.05 -35.84 81.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.985 0.422 . . . . 0.0 111.149 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.709 HG13 HD11 ' C' ' 619' ' ' LEU . 91.2 t -60.37 -45.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.159 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -37.66 88.25 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.605 ' O ' HG13 ' A' ' 622' ' ' ILE . 14.8 tp10 -65.35 -35.58 81.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.716 HD11 HG13 ' B' ' 616' ' ' VAL . 33.5 mt -66.19 -42.03 89.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 620' ' ' ARG . 3.5 ttm180 -62.17 -40.16 95.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.44 78.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.658 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.635 HG22 HG21 ' B' ' 623' ' ' ILE . 73.2 mt -61.45 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.664 HG21 HG22 ' C' ' 622' ' ' ILE . 4.9 mt -63.75 -41.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.198 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.56 98.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.273 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 47.0 m -66.14 -36.21 82.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -44.23 97.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -65.71 -39.95 91.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.87 -43.99 97.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.027 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.68 71.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.723 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.6 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -60.23 -40.79 91.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -37.52 82.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -45.39 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.967 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.547 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mt-10 -64.16 -46.3 84.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.457 . . . . 0.0 111.894 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.54 HG21 ' HB3' ' C' ' 633' ' ' GLU . 61.1 mt -57.39 -37.21 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.047 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.53 -40.7 93.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.455 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -38.77 89.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.421 HD12 HG23 ' B' ' 634' ' ' ILE . 3.5 mt -64.57 -42.86 95.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 635' ' ' LYS . 9.8 mt -61.91 -39.49 92.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -39.9 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.455 ' HG2' HD22 ' B' ' 641' ' ' LEU . 28.2 tt0 -66.63 -38.51 87.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.458 HD22 ' HG2' ' C' ' 640' ' ' GLU . 0.2 OUTLIER -65.99 -35.89 81.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.794 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . 0.582 ' HA ' ' HD3' ' A' ' 645' ' ' LYS . 0.5 OUTLIER -63.55 -39.87 95.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.512 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 646' ' ' LYS . 20.0 mm-40 -65.08 -42.44 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.251 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.567 ' HA ' HD12 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.16 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 642' ' ' ASP . 10.2 mtpt -65.62 -37.75 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mttt -63.08 -41.38 99.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 644' ' ' GLU . 4.9 mt -68.22 -43.78 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.084 0.468 . . . . 0.0 111.205 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -64.98 -33.74 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -44.83 85.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.26 -37.04 85.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 655' ' ' VAL . 27.9 tp -61.97 -40.2 94.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.671 ' HG2' HD22 ' C' ' 651' ' ' LEU . 3.3 mt-30 -59.08 -43.81 91.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.172 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.289 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.414 ' HG2' ' HE3' ' B' ' 659' ' ' LYS . 6.2 mt-10 -66.32 -40.99 90.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 651' ' ' LEU . 12.4 t -65.73 -45.83 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 111.224 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.533 ' O ' ' HG3' ' A' ' 660' ' ' LYS . 97.9 m-20 -55.35 -34.37 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -49.24 71.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.721 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.483 ' H ' HG13 ' A' ' 658' ' ' ILE . 5.2 mt -64.74 -36.42 77.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.597 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.423 ' HE3' ' HG2' ' C' ' 654' ' ' GLU . 4.3 ttmm -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 656' ' ' ASN . 43.3 mtpt -60.85 -43.41 98.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.83 84.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.374 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.509 ' CD2' HD21 ' B' ' 662' ' ' LEU . 2.5 mm? -64.29 -38.2 90.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.07 -10.42 56.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p -79.45 153.41 29.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.101 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.05 149.24 27.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.353 . . . . 0.0 110.688 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . 0.475 ' HG2' ' OE1' ' C' ' 611' ' ' GLU . 0.0 OUTLIER 54.74 44.32 28.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.601 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -106.72 144.18 33.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.687 0.279 . . . . 0.0 110.692 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . -147.89 -25.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.785 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' B' ' 597' ' ' PRO . 0.2 OUTLIER -65.09 -48.6 70.12 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.639 -0.134 . . . . 0.0 110.639 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' B' ' 596' ' ' LYS . 92.8 Cg_endo -83.35 -7.3 10.89 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.597 2.198 . . . . 0.0 112.989 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.0 84.66 2.13 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.1 0.476 . . . . 0.0 111.425 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.7 5.74 36.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -110.17 147.94 37.32 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.966 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.41 ' HA ' ' H ' ' C' ' 605' ' ' SER . 67.6 Cg_endo -72.54 145.52 42.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.405 2.07 . . . . 0.0 112.398 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . 0.426 ' HB2' ' NE2' ' C' ' 606' ' ' GLN . . . -111.6 158.91 18.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.376 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -70.84 153.66 42.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.95 37.67 0.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.749 ' O ' HG22 ' B' ' 609' ' ' VAL . 0.4 OUTLIER -66.66 -38.68 87.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.89 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 8.4 pt20 -64.66 -34.22 77.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.97 -43.97 64.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.815 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.433 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.749 HG22 ' O ' ' B' ' 605' ' ' SER . 4.7 m -66.36 -41.8 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 5.8 tt0 -61.45 -38.4 87.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.104 0.478 . . . . 0.0 111.783 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.55 ' HB2' HH22 ' C' ' 613' ' ' ARG . 10.2 mm-40 -67.67 -35.49 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.399 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.549 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.0 mt -70.36 -41.96 72.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.834 0.35 . . . . 0.0 111.075 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.558 HH22 ' HB2' ' A' ' 611' ' ' GLU . 6.4 mtt-85 -54.59 -44.73 73.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 8.7 m -57.74 -44.1 85.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.587 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.463 ' HB3' HG11 ' C' ' 616' ' ' VAL . 34.5 mt-30 -63.12 -35.78 81.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.184 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.716 HG13 HD11 ' A' ' 619' ' ' LEU . 91.6 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -37.71 88.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.607 ' O ' HG13 ' B' ' 622' ' ' ILE . 14.8 tp10 -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.71 HD11 HG13 ' C' ' 616' ' ' VAL . 33.4 mt -66.14 -42.14 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 620' ' ' ARG . 3.6 ttm180 -62.08 -40.12 94.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.71 -36.47 78.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.653 HG22 HG21 ' C' ' 623' ' ' ILE . 72.9 mt -61.44 -48.49 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.635 HG21 HG22 ' A' ' 622' ' ' ILE . 4.9 mt -63.8 -41.77 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -43.59 98.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.275 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 46.8 m -66.15 -36.12 82.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.006 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -44.21 97.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.93 -39.87 90.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.044 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.88 -43.98 97.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -44.67 71.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.605 ' HG2' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -60.15 -40.76 90.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.029 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.54 82.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.28 94.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.986 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.535 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mt-10 -64.24 -46.26 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.087 0.47 . . . . 0.0 111.893 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' A' ' 633' ' ' GLU . 60.4 mt -57.31 -37.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.5 -40.75 93.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.42 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.84 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.435 HD12 HG23 ' C' ' 634' ' ' ILE . 3.5 mt -64.49 -42.91 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.807 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -61.87 -39.48 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -39.89 86.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.823 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.474 ' HG2' HD22 ' C' ' 641' ' ' LEU . 28.2 tt0 -66.66 -38.5 86.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.999 0.428 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.455 HD22 ' HG2' ' A' ' 640' ' ' GLU . 0.2 OUTLIER -65.92 -35.91 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.861 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . 0.581 ' HA ' ' HD3' ' B' ' 645' ' ' LYS . 0.5 OUTLIER -63.48 -39.94 95.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.506 -179.456 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.14 -42.43 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.554 ' HA ' HD12 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -61.78 -38.15 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.83 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' B' ' 642' ' ' ASP . 10.2 mtpt -65.64 -37.78 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.726 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -62.99 -41.5 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 644' ' ' GLU . 5.0 mt -68.17 -43.78 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 111.234 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -65.01 -33.68 76.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.077 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -44.79 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -65.24 -37.06 86.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.721 ' O ' HG23 ' B' ' 655' ' ' VAL . 27.9 tp -62.0 -40.16 94.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.667 ' HG2' HD22 ' A' ' 651' ' ' LEU . 3.3 mt-30 -59.12 -43.84 91.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.084 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -36.13 83.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.276 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.43 ' HG2' ' HE3' ' C' ' 659' ' ' LYS . 6.3 mt-10 -66.22 -40.98 90.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 651' ' ' LEU . 12.8 t -65.91 -45.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' B' ' 660' ' ' LYS . 97.9 m-20 -55.26 -34.45 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -49.27 71.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.69 -36.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.688 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.414 ' HE3' ' HG2' ' A' ' 654' ' ' GLU . 4.3 ttmm -67.08 -36.56 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.795 0.331 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 656' ' ' ASN . 43.4 mtpt -60.8 -43.41 98.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.86 84.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.31 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.514 ' CD2' HD21 ' C' ' 662' ' ' LEU . 2.5 mm? -64.32 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -10.43 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.4 p -79.34 153.35 29.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.024 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.05 149.25 27.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 0.0 110.684 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . 0.475 ' HG2' ' OE1' ' A' ' 611' ' ' GLU . 0.0 OUTLIER 54.72 44.42 28.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.553 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -106.76 144.18 33.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.678 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . -147.9 -25.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.771 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.45 ' N ' ' CD ' ' C' ' 597' ' ' PRO . 0.2 OUTLIER -65.09 -48.67 69.87 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' C' ' 596' ' ' LYS . 92.9 Cg_endo -83.28 -7.36 10.94 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.593 2.195 . . . . 0.0 113.037 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.93 84.7 2.14 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.129 0.49 . . . . 0.0 111.499 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.74 5.74 36.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.511 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -110.14 147.98 37.38 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.432 ' HA ' ' H ' ' A' ' 605' ' ' SER . 67.0 Cg_endo -72.65 145.44 41.64 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.43 2.087 . . . . 0.0 112.429 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . 0.413 ' HB2' ' NE2' ' A' ' 606' ' ' GLN . . . -111.51 158.95 18.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.388 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -70.95 153.74 42.41 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.31 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.86 37.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.745 ' O ' HG22 ' C' ' 609' ' ' VAL . 0.4 OUTLIER -66.63 -38.78 87.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.917 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 8.4 pt20 -64.52 -34.35 78.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.04 64.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.54 89.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.418 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.745 HG22 ' O ' ' C' ' 605' ' ' SER . 4.7 m -66.33 -41.75 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 5.9 tt0 -61.58 -38.36 87.25 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.199 0.523 . . . . 0.0 111.751 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.57 ' HB2' HH22 ' A' ' 613' ' ' ARG . 10.2 mm-40 -67.63 -35.53 79.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.0 mt -70.26 -41.97 72.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.125 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.55 HH22 ' HB2' ' B' ' 611' ' ' GLU . 6.4 mtt-85 -54.63 -44.83 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 8.6 m -57.64 -44.06 85.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.702 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.461 ' HB3' HG11 ' A' ' 616' ' ' VAL . 34.5 mt-30 -63.2 -35.79 81.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 111.116 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.71 HG13 HD11 ' B' ' 619' ' ' LEU . 89.7 t -60.38 -45.28 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -37.62 88.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.385 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.598 ' O ' HG13 ' C' ' 622' ' ' ILE . 14.8 tp10 -65.43 -35.52 81.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.709 HD11 HG13 ' A' ' 616' ' ' VAL . 33.2 mt -66.17 -42.06 89.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' C' ' 620' ' ' ARG . 3.6 ttm180 -62.19 -40.12 95.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 9.8 p -68.65 -36.5 78.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.664 HG22 HG21 ' A' ' 623' ' ' ILE . 73.2 mt -61.42 -48.52 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.637 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.653 HG21 HG22 ' B' ' 622' ' ' ILE . 4.8 mt -63.66 -41.88 94.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.23 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -43.66 98.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.3 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 46.5 m -66.06 -36.22 82.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -44.2 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -65.84 -39.82 91.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.9 -43.99 97.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -44.66 71.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.739 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.605 ' HG2' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -60.16 -40.84 91.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -37.46 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -45.34 94.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.88 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.2 mt-10 -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.894 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' B' ' 633' ' ' GLU . 60.7 mt -57.34 -37.27 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.118 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.487 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.43 -40.76 93.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.454 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -38.8 89.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.942 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 634' ' ' ILE . 3.5 mt -64.54 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.79 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -61.89 -39.48 92.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -39.87 86.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.458 ' HG2' HD22 ' A' ' 641' ' ' LEU . 28.2 tt0 -66.65 -38.48 86.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.474 HD22 ' HG2' ' B' ' 640' ' ' GLU . 0.2 OUTLIER -65.98 -35.88 81.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.808 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . 0.594 ' HA ' ' HD3' ' C' ' 645' ' ' LYS . 0.5 OUTLIER -63.58 -39.84 95.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.49 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.416 ' HA ' ' HE3' ' C' ' 646' ' ' LYS . 20.0 mm-40 -65.12 -42.46 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.253 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -61.72 -38.15 86.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.869 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.594 ' HD3' ' HA ' ' C' ' 642' ' ' ASP . 10.2 mtpt -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.718 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' C' ' 643' ' ' GLU . 19.5 mttt -63.14 -41.3 99.26 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' C' ' 644' ' ' GLU . 5.0 mt -68.29 -43.76 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -65.04 -33.73 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -44.85 85.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 82.1 mtm-85 -65.25 -36.92 85.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.71 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.743 ' O ' HG23 ' C' ' 655' ' ' VAL . 28.0 tp -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.662 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.4 mt-30 -59.11 -43.86 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -36.18 83.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.423 ' HG2' ' HE3' ' A' ' 659' ' ' LYS . 6.2 mt-10 -66.34 -40.97 90.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.469 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.743 HG23 ' O ' ' C' ' 651' ' ' LEU . 12.8 t -65.86 -45.76 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.218 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' C' ' 660' ' ' LYS . 97.9 m-20 -55.34 -34.37 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -49.29 71.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.73 -36.32 77.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.717 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.43 ' HE3' ' HG2' ' B' ' 654' ' ' GLU . 4.3 ttmm -67.12 -36.52 82.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' C' ' 656' ' ' ASN . 43.3 mtpt -60.84 -43.46 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.92 84.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.406 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.514 HD21 ' CD2' ' B' ' 662' ' ' LEU . 2.5 mm? -64.2 -38.27 90.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.04 -10.44 56.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.5 p -79.35 153.39 29.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 16.2 tttt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.062 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.735 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.5 48.43 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 10.2 ttp -131.54 129.71 41.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.582 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.481 ' HG2' ' OE1' ' C' ' 610' ' ' GLU . 3.4 mm-40 -76.43 131.38 39.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.76 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.479 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 111.39 -26.49 11.96 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.755 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 107.96 60.71 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.491 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.5 Cg_endo -85.94 159.22 10.24 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.609 2.206 . . . . 0.0 113.072 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.7 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -151.75 121.54 7.02 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.106 0.479 . . . . 0.0 111.453 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 22.8 mtm -136.97 104.44 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.625 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.779 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.2 OUTLIER -127.19 -57.5 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.976 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.779 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.5 Cg_endo -75.68 153.25 38.47 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.434 2.089 . . . . 0.0 112.38 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.9 109.94 20.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.448 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -150.63 178.84 8.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.329 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -54.22 48.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.793 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.0 t -58.1 -34.47 70.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.916 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.591 ' HB2' ' H ' ' A' ' 603' ' ' ALA . 4.2 mm-40 -67.59 -42.91 81.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -60.99 -43.9 98.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -60.59 -39.79 89.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.471 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 605' ' ' SER . 27.5 t -62.67 -39.52 85.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.589 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.483 ' OE1' ' HG2' ' B' ' 594' ' ' GLU . 4.1 mt-10 -63.9 -41.57 97.66 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.126 0.489 . . . . 0.0 111.796 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.474 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 3.2 tm-20 -63.18 -40.34 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.433 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 616' ' ' VAL . 11.0 mt -60.71 -44.09 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.543 ' HA ' HD21 ' C' ' 612' ' ' LEU . 3.9 ttm105 -59.26 -39.5 83.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -51.73 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.44 -35.8 81.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 111.127 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 612' ' ' LEU . 55.6 t -66.32 -50.28 69.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.379 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.408 ' OE2' HD11 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.017 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' B' ' 623' ' ' ILE . 9.9 mt -70.57 -40.62 73.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.454 ' HG3' HD21 ' C' ' 619' ' ' LEU . 18.3 ttm-85 -63.83 -40.02 95.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.61 -42.29 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.659 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 626' ' ' MET . 11.9 mt -62.67 -43.14 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.592 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' C' ' 619' ' ' LEU . 13.8 mt -60.77 -43.6 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -43.65 98.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -38.57 80.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 43.0 mtt -65.93 -38.48 88.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.68 -45.15 91.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -66.96 -50.32 62.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -37.13 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -62.02 -42.55 99.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.2 mm-40 -65.84 -41.06 92.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.999 0.428 . . . . 0.0 111.809 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.585 HG21 ' HB3' ' C' ' 633' ' ' GLU . 39.9 mt -65.57 -41.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.121 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.82 99.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.512 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.625 HD23 HD12 ' B' ' 641' ' ' LEU . 2.4 mt -64.63 -43.45 93.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 634' ' ' ILE . 0.2 OUTLIER -62.95 -44.64 95.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -45.49 94.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.408 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.4 -40.37 96.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.898 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.613 HD12 HD23 ' C' ' 637' ' ' LEU . 0.7 OUTLIER -62.92 -44.26 96.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.784 179.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' A' ' 645' ' ' LYS . 0.9 OUTLIER -60.02 -41.54 92.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.509 -179.322 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -40.08 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.216 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.492 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.5 OUTLIER -63.72 -38.46 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.907 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 641' ' ' LEU . 15.7 mttm -61.44 -42.54 98.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.745 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -60.45 -44.95 95.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -179.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.5 mt -68.47 -42.47 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 111.185 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.491 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.5 ttm105 -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.038 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -43.01 99.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 13.3 mtm180 -63.34 -33.45 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.668 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -65.09 -44.3 89.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.785 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.612 ' HA ' HD21 ' C' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.63 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.171 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -41.34 97.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.308 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.71 -42.64 97.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 651' ' ' LEU . 23.0 t -64.19 -37.17 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.13 -40.98 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.45 -47.92 74.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.829 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.601 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 0.6 OUTLIER -65.51 -31.94 56.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.673 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.603 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.0 OUTLIER -68.62 -39.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.56 -47.06 85.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.921 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.53 75.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.671 HD23 HE21 ' A' ' 663' ' ' GLN . 1.1 tp -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . 0.671 HE21 HD23 ' A' ' 662' ' ' LEU . 97.7 mm-40 -82.23 -27.51 32.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -52.58 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.722 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.731 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.45 48.42 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 10.2 ttp -131.52 129.62 41.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.647 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.483 ' HG2' ' OE1' ' A' ' 610' ' ' GLU . 3.4 mm-40 -76.39 131.37 39.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.745 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.46 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 111.39 -26.54 11.88 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.749 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 108.02 60.81 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.474 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 93.1 Cg_endo -86.03 159.32 10.12 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.548 2.165 . . . . 0.0 112.974 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.713 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -151.82 121.48 6.96 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.054 0.454 . . . . 0.0 111.388 -179.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 22.8 mtm -136.94 104.46 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.598 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.778 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -127.21 -57.48 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.933 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.778 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.9 Cg_endo -75.64 153.27 38.7 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.441 2.094 . . . . 0.0 112.419 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.92 109.88 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.35 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.735 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -150.63 178.86 8.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.338 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.45 -54.15 49.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.797 ' O ' HG23 ' B' ' 609' ' ' VAL . 22.9 t -58.17 -34.36 70.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.892 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.588 ' HB2' ' H ' ' B' ' 603' ' ' ALA . 4.2 mm-40 -67.74 -42.86 81.19 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.715 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -60.94 -44.02 97.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.788 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -60.55 -39.81 89.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.445 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.797 HG23 ' O ' ' B' ' 605' ' ' SER . 27.4 t -62.66 -39.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.477 ' OE1' ' HG2' ' C' ' 594' ' ' GLU . 4.1 mt-10 -63.97 -41.58 97.5 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.189 0.519 . . . . 0.0 111.788 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.486 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 3.2 tm-20 -63.13 -40.38 97.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.42 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.571 ' O ' HG23 ' B' ' 616' ' ' VAL . 11.0 mt -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.127 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.523 ' HA ' HD21 ' A' ' 612' ' ' LEU . 3.9 ttm105 -59.29 -39.42 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.041 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -51.8 67.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.646 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 111.15 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 612' ' ' LEU . 55.0 t -66.26 -50.27 69.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.79 95.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.335 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.418 ' HB3' HH22 ' C' ' 620' ' ' ARG . 0.2 OUTLIER -62.66 -31.06 71.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' C' ' 623' ' ' ILE . 9.9 mt -70.54 -40.54 73.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.45 ' HG3' HD21 ' A' ' 619' ' ' LEU . 18.2 ttm-85 -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.6 -42.33 91.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.647 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.562 ' O ' ' HG3' ' B' ' 626' ' ' MET . 12.0 mt -62.69 -43.09 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.598 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.456 ' CD1' HD22 ' A' ' 619' ' ' LEU . 13.8 mt -60.85 -43.52 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -43.73 98.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -38.53 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.043 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 42.9 mtt -65.85 -38.55 89.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.69 -45.16 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.88 -30.98 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.93 -50.32 62.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.4 ' HG2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -65.98 -37.11 85.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -61.98 -42.55 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -42.08 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.975 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.606 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.2 mm-40 -65.8 -40.96 92.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.101 0.477 . . . . 0.0 111.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.598 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.1 mt -65.65 -41.93 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.112 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.46 -42.85 99.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.392 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.48 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.625 HD23 HD12 ' C' ' 641' ' ' LEU . 2.4 mt -64.59 -43.54 93.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.447 HD12 ' O ' ' B' ' 634' ' ' ILE . 0.2 OUTLIER -62.92 -44.53 95.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -45.52 94.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.773 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -62.32 -40.43 96.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.012 0.434 . . . . 0.0 110.888 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.625 HD12 HD23 ' A' ' 637' ' ' LEU . 0.7 OUTLIER -62.98 -44.29 96.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.728 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' B' ' 645' ' ' LYS . 0.9 OUTLIER -59.94 -41.59 92.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.513 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -40.09 89.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.22 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.49 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.5 OUTLIER -63.76 -38.43 91.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.929 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 641' ' ' LEU . 15.7 mttm -61.47 -42.48 98.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.76 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -60.5 -44.94 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.489 HG12 HH21 ' B' ' 650' ' ' ARG . 3.6 mt -68.47 -42.49 83.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.962 0.41 . . . . 0.0 111.165 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 4.5 ttm105 -60.35 -42.61 96.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.023 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.729 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 13.3 mtm180 -63.3 -33.44 75.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.733 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -65.06 -44.37 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.762 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD21 ' A' ' 651' ' ' LEU . 3.1 tt0 -64.14 -40.67 96.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.166 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -41.44 97.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.306 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.68 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 651' ' ' LEU . 23.1 t -64.27 -37.24 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.126 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.1 -40.93 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.759 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.601 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -31.95 56.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.732 -179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.601 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.0 OUTLIER -68.55 -39.64 80.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.111 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.71 -46.97 85.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.51 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.65 HD23 HE21 ' B' ' 663' ' ' GLN . 1.1 tp -65.92 -34.96 79.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . 0.65 HE21 HD23 ' B' ' 662' ' ' LEU . 97.8 mm-40 -82.25 -27.51 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -52.59 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.721 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.067 -0.968 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.735 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 48.42 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 0.0 110.653 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 10.2 ttp -131.56 129.67 41.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.584 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.477 ' HG2' ' OE1' ' B' ' 610' ' ' GLU . 3.4 mm-40 -76.48 131.4 39.0 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.758 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.473 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 111.42 -26.52 11.87 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.761 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 107.9 60.71 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.486 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 93.1 Cg_endo -85.88 159.24 10.33 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.635 2.223 . . . . 0.0 113.04 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.715 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -151.75 121.53 7.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.035 0.445 . . . . 0.0 111.475 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 22.8 mtm -136.95 104.43 5.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.773 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -127.17 -57.46 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.03 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.773 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 68.1 Cg_endo -75.54 153.22 39.09 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.467 2.111 . . . . 0.0 112.385 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -111.92 109.96 20.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.46 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.735 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -150.62 178.83 8.71 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.355 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -54.2 48.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.791 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.0 t -58.1 -34.42 70.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.897 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.576 ' HB2' ' H ' ' C' ' 603' ' ' ALA . 4.2 mm-40 -67.72 -42.83 81.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.7 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -60.99 -44.04 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -60.52 -39.83 89.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.492 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.791 HG23 ' O ' ' C' ' 605' ' ' SER . 27.0 t -62.61 -39.58 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.583 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.481 ' OE1' ' HG2' ' A' ' 594' ' ' GLU . 4.1 mt-10 -63.87 -41.61 97.72 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.195 0.522 . . . . 0.0 111.812 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.491 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 3.2 tm-20 -63.06 -40.36 97.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.441 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.573 ' O ' HG23 ' C' ' 616' ' ' VAL . 11.0 mt -60.85 -43.93 97.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 111.161 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.529 ' HA ' HD21 ' B' ' 612' ' ' LEU . 3.9 ttm105 -59.31 -39.49 83.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.023 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.87 67.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.567 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -66.34 -35.9 81.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.976 0.417 . . . . 0.0 111.086 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.573 HG23 ' O ' ' C' ' 612' ' ' LEU . 55.3 t -66.24 -50.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -44.92 95.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.376 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' A' ' 620' ' ' ARG . 0.2 OUTLIER -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.999 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 623' ' ' ILE . 9.9 mt -70.49 -40.53 73.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.991 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' B' ' 619' ' ' LEU . 18.2 ttm-85 -64.04 -39.87 95.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 1.4 p -65.63 -42.31 91.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.629 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' C' ' 626' ' ' MET . 11.9 mt -62.69 -43.08 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.63 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.46 ' CD1' HD22 ' B' ' 619' ' ' LEU . 13.7 mt -60.88 -43.51 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.257 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.57 98.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.264 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -38.53 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 42.9 mtt -65.93 -38.39 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -63.7 -45.2 91.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.031 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.99 -30.87 69.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -67.04 -50.27 62.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.4 ' HB3' ' HG2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -65.84 -37.19 85.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -61.96 -42.58 99.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.06 99.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.023 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.585 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.1 mm-40 -65.68 -41.09 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.0 mt -65.66 -41.85 91.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.125 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.5 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.613 HD23 HD12 ' A' ' 641' ' ' LEU . 2.4 mt -64.67 -43.44 93.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.443 HD12 ' O ' ' C' ' 634' ' ' ILE . 0.2 OUTLIER -62.88 -44.65 95.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -45.46 94.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.769 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.412 ' HB3' HD13 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.37 -40.44 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.982 0.42 . . . . 0.0 110.865 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.625 HD12 HD23 ' B' ' 637' ' ' LEU . 0.7 OUTLIER -62.88 -44.29 96.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.822 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . 0.511 ' HA ' ' HD2' ' C' ' 645' ' ' LYS . 0.9 OUTLIER -59.97 -41.58 92.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.538 -179.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -40.11 89.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.254 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.491 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.5 OUTLIER -63.75 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' C' ' 641' ' ' LEU . 15.6 mttm -61.43 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.699 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -60.52 -44.95 95.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.478 HG12 HH21 ' C' ' 650' ' ' ARG . 3.5 mt -68.47 -42.52 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 111.216 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 4.5 ttm105 -60.33 -42.55 95.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.063 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 13.3 mtm180 -63.32 -33.46 75.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.661 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.694 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -65.16 -44.28 89.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.755 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.63 ' HA ' HD21 ' B' ' 651' ' ' LEU . 3.1 tt0 -64.22 -40.61 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.186 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.43 97.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.67 -42.6 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.694 HG23 ' O ' ' C' ' 651' ' ' LEU . 23.0 t -64.21 -37.14 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.209 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.08 -41.02 99.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.42 -48.04 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.603 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 0.6 OUTLIER -65.41 -32.07 56.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.634 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.601 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.0 OUTLIER -68.51 -39.69 81.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.022 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -62.67 -46.99 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.5 75.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.359 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.656 HD23 HE21 ' C' ' 663' ' ' GLN . 1.1 tp -65.98 -34.96 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . 0.656 HE21 HD23 ' C' ' 662' ' ' LEU . 97.8 mm-40 -82.18 -27.48 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -52.57 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.732 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 2.4 pttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.38 54.01 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.952 0.406 . . . . 0.0 110.635 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttp -133.09 128.43 36.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.565 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.54 139.06 41.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.742 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.41 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 94.25 -16.25 61.43 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.723 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 102.6 49.61 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.589 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 91.9 Cg_endo -85.28 153.97 10.81 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.64 2.227 . . . . 0.0 112.976 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.568 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -150.43 147.33 27.41 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.953 0.406 . . . . 0.0 111.467 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.477 ' HG3' ' OE1' ' A' ' 606' ' ' GLN . 0.1 OUTLIER -153.66 101.48 2.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.56 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.753 ' HB2' ' HD3' ' A' ' 601' ' ' PRO . 0.7 OUTLIER -128.8 -64.62 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.972 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.753 ' HD3' ' HB2' ' A' ' 600' ' ' GLU . 67.9 Cg_endo -73.3 147.52 42.07 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.417 2.078 . . . . 0.0 112.386 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.92 129.03 54.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.331 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -165.6 169.5 15.27 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.312 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.486 ' HB2' ' HD2' ' B' ' 601' ' ' PRO . 0.7 OUTLIER -55.56 -40.32 71.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.685 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.429 ' O ' HG23 ' A' ' 609' ' ' VAL . 5.1 t -66.96 -42.65 84.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.871 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 0.5 OUTLIER -62.31 -34.08 75.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -66.07 -39.64 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' B' ' 598' ' ' LYS . . . -64.45 -38.27 90.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.437 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 605' ' ' SER . 38.8 t -62.34 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.82 -44.99 91.01 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.154 0.502 . . . . 0.0 111.738 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.599 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.8 OUTLIER -59.98 -42.48 94.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.41 179.423 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.885 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.1 mt -63.54 -37.42 87.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.109 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.883 ' HA ' HD21 ' C' ' 612' ' ' LEU . 6.0 ttm105 -64.29 -36.15 83.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.024 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -41.83 84.71 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.697 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.01 -36.26 79.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.977 0.418 . . . . 0.0 111.164 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 612' ' ' LEU . 71.8 t -67.99 -47.29 79.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -45.03 91.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.312 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 622' ' ' ILE . 1.0 OUTLIER -65.49 -41.94 92.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.739 HD21 ' HG3' ' B' ' 620' ' ' ARG . 3.2 mt -60.92 -40.89 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.749 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.43 -44.62 89.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . 0.635 ' O ' HG23 ' A' ' 625' ' ' THR . 0.1 OUTLIER -67.02 -33.1 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.595 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.604 HG22 ' SD ' ' A' ' 626' ' ' MET . 83.6 mt -70.75 -36.29 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.563 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.66 HD13 HD22 ' C' ' 619' ' ' LEU . 5.2 mt -71.0 -45.28 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -42.27 95.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 621' ' ' SER . 76.7 p -67.49 -40.79 85.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.967 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.604 ' SD ' HG22 ' A' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -63.43 -40.19 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -48.96 74.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -39.28 89.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.547 ' NE2' ' HB3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -68.5 -43.6 76.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.516 ' HE3' HE21 ' C' ' 630' ' ' GLN . 1.1 mmtp -62.69 -37.29 85.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -42.59 96.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.039 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.455 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.4 mt-10 -64.7 -42.92 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.104 0.478 . . . . 0.0 111.867 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.583 ' O ' HD12 ' A' ' 638' ' ' LEU . 59.3 mt -66.43 -44.29 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.084 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -56.87 -46.84 81.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.398 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.01 -42.89 95.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.992 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.3 mt -59.09 -40.13 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.714 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 634' ' ' ILE . 0.6 OUTLIER -62.72 -46.43 88.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -31.61 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.797 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.48 -47.58 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -36.05 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.813 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.531 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -64.41 -43.77 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -64.1 -39.19 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.27 -37.44 74.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.1 83.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 644' ' ' GLU . 7.1 mt -66.31 -36.28 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 111.258 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.09 -43.68 70.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.83 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -57.68 -36.55 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -54.47 -47.73 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.581 ' HA ' HD21 ' C' ' 651' ' ' LEU . 1.8 tt0 -59.76 -36.14 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 4.0 mtm -63.29 -40.25 96.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.237 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.52 -41.0 85.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 651' ' ' LEU . 2.9 t -63.11 -43.13 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.001 0.429 . . . . 0.0 111.193 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.47 76.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -51.2 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.44 ' HB ' ' HD2' ' B' ' 659' ' ' LYS . 1.2 tt -67.0 -31.44 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.446 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.38 -44.36 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.88 -42.58 89.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.95 82.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.333 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.21 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.5 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . 0.481 HE21 ' HA ' ' A' ' 663' ' ' GLN . 3.0 mm-40 -84.06 -25.1 30.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.811 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t -76.05 -48.43 20.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.616 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 14.7 pttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.39 54.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.007 0.432 . . . . 0.0 110.654 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttp -133.04 128.37 36.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.655 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.57 139.11 41.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.705 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.423 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 94.22 -16.2 61.52 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.734 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 102.59 49.62 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.599 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 92.2 Cg_endo -85.28 153.97 10.81 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.649 2.233 . . . . 0.0 113.01 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -150.46 147.28 27.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.01 0.433 . . . . 0.0 111.45 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.47 ' HG3' ' OE1' ' B' ' 606' ' ' GLN . 0.1 OUTLIER -153.64 101.51 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.538 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.738 ' HB2' ' HD3' ' B' ' 601' ' ' PRO . 0.7 OUTLIER -128.77 -64.6 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.995 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.738 ' HD3' ' HB2' ' B' ' 600' ' ' GLU . 66.6 Cg_endo -73.33 147.54 41.98 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.437 2.092 . . . . 0.0 112.359 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.93 129.07 54.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.371 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.716 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -165.62 169.55 15.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.318 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.493 ' HB2' ' HD2' ' C' ' 601' ' ' PRO . 0.7 OUTLIER -55.62 -40.24 71.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 609' ' ' VAL . 5.1 t -67.03 -42.67 84.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.836 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 0.5 OUTLIER -62.25 -34.08 75.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.571 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -66.18 -39.51 89.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -64.44 -38.36 90.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.427 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 605' ' ' SER . 38.9 t -62.27 -44.96 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.596 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.76 -45.03 90.69 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.134 0.492 . . . . 0.0 111.774 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.588 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.8 OUTLIER -60.02 -42.38 94.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.1 mt -63.56 -37.49 87.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.885 ' HA ' HD21 ' A' ' 612' ' ' LEU . 6.0 ttm105 -64.15 -36.31 83.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -41.95 85.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.07 -36.29 79.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.111 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 612' ' ' LEU . 72.5 t -67.91 -47.29 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -45.07 91.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.361 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.45 ' O ' HG13 ' B' ' 622' ' ' ILE . 1.0 OUTLIER -65.36 -42.02 93.21 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.733 HD21 ' HG3' ' C' ' 620' ' ' ARG . 3.2 mt -60.89 -40.97 95.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.739 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.4 -44.56 89.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.63 ' O ' HG23 ' B' ' 625' ' ' THR . 0.1 OUTLIER -67.11 -33.05 74.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.554 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.596 HG22 ' SD ' ' B' ' 626' ' ' MET . 82.8 mt -70.68 -36.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 111.675 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.633 HD13 HD22 ' A' ' 619' ' ' LEU . 5.2 mt -70.98 -45.24 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.22 95.28 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.248 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.63 HG23 ' O ' ' B' ' 621' ' ' SER . 76.5 p -67.4 -40.89 85.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.596 ' SD ' HG22 ' B' ' 622' ' ' ILE . 4.7 mtt -62.53 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.402 ' HG3' ' HG2' ' A' ' 626' ' ' MET . 4.1 tmtm? -63.42 -40.3 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -48.96 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -39.42 90.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.554 ' NE2' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.44 -43.52 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 -179.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.514 ' HE3' HE21 ' A' ' 630' ' ' GLN . 1.1 mmtp -62.77 -37.28 86.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.63 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.995 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.455 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.4 mt-10 -64.71 -42.98 94.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.006 0.431 . . . . 0.0 111.84 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.582 ' O ' HD12 ' B' ' 638' ' ' LEU . 59.4 mt -66.37 -44.3 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.083 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -56.81 -46.9 81.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.06 -42.88 95.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.3 mt -58.95 -40.19 83.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.767 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.582 HD12 ' O ' ' B' ' 634' ' ' ILE . 0.6 OUTLIER -62.67 -46.55 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -31.64 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.47 -47.57 63.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -36.1 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.814 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -43.86 93.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.544 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.38 -43.79 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.254 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -64.13 -39.18 93.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.24 -37.48 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.76 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -45.19 83.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' B' ' 644' ' ' GLU . 7.2 mt -66.27 -36.3 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 121.031 0.443 . . . . 0.0 111.179 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 648' ' ' ARG . 3.5 tmm_? -70.11 -43.75 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.73 -52.94 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.63 -36.59 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.628 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -54.48 -47.77 72.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.743 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.581 ' HA ' HD21 ' A' ' 651' ' ' LEU . 1.8 tt0 -59.72 -36.12 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.189 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 3.9 mtm -63.34 -40.2 96.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.45 -41.08 85.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 651' ' ' LEU . 2.9 t -63.12 -43.12 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 111.138 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.37 -33.42 75.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -51.12 61.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.439 ' HB ' ' HD2' ' C' ' 659' ' ' LYS . 1.2 tt -67.13 -31.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.654 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.44 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.37 -44.41 83.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.085 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.89 -42.56 89.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.88 82.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.355 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.65 -31.18 72.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . 0.483 ' HA ' HE21 ' B' ' 663' ' ' GLN . 3.0 mm-40 -84.09 -25.06 30.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t -75.98 -48.41 21.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.603 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 14.8 pttt . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.29 53.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.639 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttp -133.09 128.32 35.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.599 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.44 139.01 42.02 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.697 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.414 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 94.23 -16.12 61.71 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.765 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 102.61 49.78 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 110.637 -0.134 . . . . 0.0 110.637 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.588 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 92.2 Cg_endo -85.33 153.97 10.75 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.619 2.213 . . . . 0.0 112.963 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.571 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -150.44 147.28 27.35 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.017 0.436 . . . . 0.0 111.431 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.479 ' HG3' ' OE1' ' C' ' 606' ' ' GLN . 0.1 OUTLIER -153.65 101.42 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.551 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.73 ' HB2' ' HD3' ' C' ' 601' ' ' PRO . 0.7 OUTLIER -128.71 -64.53 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.003 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.73 ' HD3' ' HB2' ' C' ' 600' ' ' GLU . 67.3 Cg_endo -73.27 147.52 42.22 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.524 2.149 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.91 129.13 54.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.348 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.726 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -165.68 169.54 15.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.468 ' HB2' ' HD2' ' A' ' 601' ' ' PRO . 0.7 OUTLIER -55.65 -40.19 71.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.431 ' O ' HG23 ' C' ' 609' ' ' VAL . 5.1 t -66.99 -42.74 84.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 0.5 OUTLIER -62.27 -34.08 75.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -66.08 -39.58 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.875 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -64.42 -38.3 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.462 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.431 HG23 ' O ' ' C' ' 605' ' ' SER . 38.7 t -62.3 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.68 -45.09 90.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.148 0.499 . . . . 0.0 111.767 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.589 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.8 OUTLIER -59.95 -42.51 94.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.43 179.421 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.883 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.1 mt -63.47 -37.54 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.857 ' HA ' HD21 ' B' ' 612' ' ' LEU . 6.1 ttm105 -64.22 -36.24 83.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -41.91 85.04 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.634 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.02 -36.25 79.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.019 0.438 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.489 HG23 ' O ' ' C' ' 612' ' ' LEU . 71.6 t -68.05 -47.3 79.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.04 91.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.26 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.443 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.9 OUTLIER -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 620' ' ' ARG . 3.2 mt -60.86 -40.92 94.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.733 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.4 -44.62 89.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . 0.635 ' O ' HG23 ' C' ' 625' ' ' THR . 0.1 OUTLIER -67.07 -33.05 74.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.62 179.534 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' C' ' 626' ' ' MET . 83.2 mt -70.7 -36.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.628 HD13 HD22 ' B' ' 619' ' ' LEU . 5.2 mt -71.02 -45.29 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.179 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -42.25 95.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.635 HG23 ' O ' ' C' ' 621' ' ' SER . 76.1 p -67.41 -40.86 85.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.007 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.606 ' SD ' HG22 ' C' ' 622' ' ' ILE . 4.7 mtt -62.57 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -63.53 -40.18 96.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -48.91 75.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.031 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -39.36 90.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.554 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -68.46 -43.52 76.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.511 ' HE3' HE21 ' B' ' 630' ' ' GLN . 1.1 mmtp -62.7 -37.33 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -42.62 95.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.443 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.4 mt-10 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.068 0.461 . . . . 0.0 111.886 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.594 ' O ' HD12 ' C' ' 638' ' ' LEU . 59.5 mt -66.33 -44.27 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -56.81 -46.83 81.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.443 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.22 -42.8 95.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.3 mt -59.09 -40.04 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.594 HD12 ' O ' ' C' ' 634' ' ' ILE . 0.6 OUTLIER -62.78 -46.48 87.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.119 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.51 -47.52 63.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -36.13 79.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.79 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.86 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.46 -43.75 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.186 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.425 ' HA ' HD12 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -64.16 -39.19 93.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -58.22 -37.46 74.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -45.12 83.12 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' C' ' 644' ' ' GLU . 7.1 mt -66.36 -36.19 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.211 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.6 tmm_? -70.17 -43.74 70.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.024 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.407 HD23 ' HE2' ' C' ' 653' ' ' MET . 1.5 tt -58.76 -52.99 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.747 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.719 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.759 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -54.47 -47.76 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.711 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' B' ' 651' ' ' LEU . 1.8 tt0 -59.79 -36.07 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.209 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . 0.407 ' HE2' HD23 ' C' ' 649' ' ' LEU . 4.0 mtm -63.32 -40.25 96.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.41 -41.14 85.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.586 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.759 HG23 ' O ' ' C' ' 651' ' ' LEU . 2.9 t -63.01 -43.16 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 111.203 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.34 -33.45 76.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -51.07 61.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.741 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.446 ' HB ' ' HD2' ' A' ' 659' ' ' LYS . 1.2 tt -67.13 -31.38 53.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.439 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.32 -44.43 83.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.808 0.337 . . . . 0.0 111.08 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -58.81 -42.64 89.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.9 82.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.339 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.7 -31.17 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . 0.485 HE21 ' HA ' ' C' ' 663' ' ' GLN . 3.0 mm-40 -83.98 -25.14 30.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 28.9 t -75.94 -48.48 21.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.603 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 14.7 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.051 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' A' ' 591' ' ' GLY . 5.7 m170 -140.75 80.96 1.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.902 0.382 . . . . 0.0 110.678 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.88 132.71 19.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.602 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -79.77 125.35 29.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.669 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.522 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 96.22 -8.1 67.02 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.717 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.66 104.02 55.3 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.38 169.73 10.94 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.58 2.186 . . . . 0.0 112.995 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' C' ' 608' ' ' ALA . 1.7 ttpt -164.98 156.26 14.78 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.052 0.454 . . . . 0.0 111.382 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.423 ' HG3' HE22 ' A' ' 606' ' ' GLN . 0.7 OUTLIER -163.98 101.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.579 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.584 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.3 OUTLIER -123.42 -64.23 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.0 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.584 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 66.9 Cg_endo -75.55 150.65 36.14 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.49 2.127 . . . . 0.0 112.362 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.21 118.13 35.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.388 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -157.13 167.01 31.68 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.323 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.412 ' OG ' ' HB2' ' B' ' 600' ' ' GLU . 0.9 OUTLIER -57.63 -25.92 60.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 609' ' ' VAL . 29.7 t -73.52 -38.9 65.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.423 HE22 ' HG3' ' A' ' 599' ' ' MET . 0.8 OUTLIER -70.73 -36.99 73.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.17 99.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' B' ' 598' ' ' LYS . . . -59.16 -42.91 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.417 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 605' ' ' SER . 2.4 t -68.38 -33.18 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -48.78 80.29 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.14 0.495 . . . . 0.0 111.734 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.524 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.9 OUTLIER -62.64 -43.84 97.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.433 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.627 HD22 HG21 ' B' ' 616' ' ' VAL . 7.7 mt -59.71 -39.22 83.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.618 HH11 ' HB2' ' A' ' 613' ' ' ARG . 8.8 ttm105 -59.12 -45.55 90.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -47.95 83.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.675 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.605 HE21 HG12 ' B' ' 616' ' ' VAL . 14.1 tt0 -69.19 -36.42 77.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.997 0.427 . . . . 0.0 111.122 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.615 HG21 HD22 ' C' ' 612' ' ' LEU . 36.1 t -65.35 -46.68 89.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.162 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -42.52 95.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.356 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.19 95.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.014 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 623' ' ' ILE . 1.9 mt -55.49 -41.88 73.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.616 ' HG3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.82 -46.21 88.18 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.87 -32.5 74.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.59 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 626' ' ' MET . 43.4 mt -68.29 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.048 0.452 . . . . 0.0 111.672 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 619' ' ' LEU . 4.3 mt -63.3 -38.79 83.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.95 -43.2 88.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.48 -45.77 74.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.007 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.65 98.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.413 ' HG3' ' HB3' ' C' ' 626' ' ' MET . 3.2 tmtm? -64.02 -40.09 95.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.21 -40.0 93.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.37 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.771 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -65.27 -42.84 92.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.468 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -64.05 -40.92 97.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . 0.466 ' NH2' ' HB3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.37 98.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.959 179.696 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' B' ' 634' ' ' ILE . 1.3 mt-10 -63.78 -43.03 97.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.873 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.716 HG21 ' HB3' ' C' ' 633' ' ' GLU . 27.0 mt -65.64 -43.15 93.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.115 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.1 -44.45 79.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -35.66 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.632 HD12 HG23 ' B' ' 634' ' ' ILE . 3.0 mt -65.24 -43.87 90.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.9 -45.25 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.103 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.57 -39.74 92.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.93 -43.52 92.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.11 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.762 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.35 -34.15 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.499 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -70.01 -48.25 58.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.211 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.498 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -35.44 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.887 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.5 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 21.2 mttm -61.26 -38.78 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.747 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.25 87.01 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.469 ' H ' HG13 ' A' ' 647' ' ' ILE . 1.8 mt -68.12 -41.45 84.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.465 HH21 ' HG2' ' C' ' 644' ' ' GLU . 3.4 tmm_? -56.3 -49.97 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.0 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.17 95.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.49 -35.78 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.37 -44.96 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.536 ' HA ' HD21 ' C' ' 651' ' ' LEU . 5.6 tt0 -59.35 -38.68 81.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.168 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.01 -40.34 94.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.336 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -46.67 87.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.554 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.6 t -62.62 -39.13 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.98 0.419 . . . . 0.0 111.189 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -62.87 -33.61 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.71 -50.97 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 658' ' ' ILE . 0.7 OUTLIER -64.09 -30.03 48.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.658 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -43.99 87.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -40.6 95.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.67 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.304 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -29.11 66.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -28.98 24.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.7 t -67.75 -32.58 73.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 6.3 pttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.03 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . 0.415 ' HD2' ' O ' ' B' ' 591' ' ' GLY . 5.7 m170 -140.8 81.05 1.78 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.926 0.394 . . . . 0.0 110.621 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.93 132.83 19.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.583 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -79.84 125.38 29.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.671 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.524 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 96.11 -7.94 67.22 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.747 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 104.04 55.25 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 110.602 -0.148 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.38 169.72 10.94 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.563 2.175 . . . . 0.0 113.008 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 608' ' ' ALA . 1.7 ttpt -165.0 156.23 14.72 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.108 0.48 . . . . 0.0 111.375 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.421 ' HG3' HE22 ' B' ' 606' ' ' GLN . 0.7 OUTLIER -163.97 101.94 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.584 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.599 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -123.42 -64.27 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.931 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.599 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.3 Cg_endo -75.54 150.64 36.16 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.412 2.074 . . . . 0.0 112.358 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.14 118.18 35.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.412 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -157.18 166.98 31.7 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.338 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -25.97 60.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 609' ' ' VAL . 29.7 t -73.51 -38.9 65.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.882 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.421 HE22 ' HG3' ' B' ' 599' ' ' MET . 0.8 OUTLIER -70.64 -37.16 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.16 98.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -59.22 -42.89 92.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 605' ' ' SER . 2.4 t -68.34 -33.25 59.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.657 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.02 -48.87 79.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.174 0.512 . . . . 0.0 111.791 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.526 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.9 OUTLIER -62.53 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.604 HD22 HG21 ' C' ' 616' ' ' VAL . 7.8 mt -59.69 -39.24 83.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.11 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.626 ' HB2' HH11 ' B' ' 613' ' ' ARG . 8.9 ttm105 -59.09 -45.59 90.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -47.85 83.62 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.621 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.59 HE21 HG12 ' C' ' 616' ' ' VAL . 14.0 tt0 -69.33 -36.32 76.82 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 111.15 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.627 HG21 HD22 ' A' ' 612' ' ' LEU . 36.5 t -65.37 -46.6 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -42.48 94.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.14 -40.22 95.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.657 ' O ' HD12 ' B' ' 623' ' ' ILE . 1.8 mt -55.51 -41.84 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.629 ' HG3' HD21 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.91 -46.15 88.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' B' ' 626' ' ' MET . 43.4 mt -68.38 -47.98 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.655 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.657 HD12 ' O ' ' B' ' 619' ' ' LEU . 4.3 mt -63.31 -38.86 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.21 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.88 -43.17 89.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -45.69 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.99 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 622' ' ' ILE . 17.2 mtt -61.04 -42.56 98.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.977 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' A' ' 626' ' ' MET . 3.2 tmtm? -64.2 -39.95 95.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.48 -42.41 78.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.453 ' HG3' ' HE3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -65.31 -42.69 92.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.973 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.465 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -64.16 -40.86 97.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.452 ' NH2' ' HB3' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.978 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.711 ' HB3' HG21 ' C' ' 634' ' ' ILE . 1.3 mt-10 -63.74 -43.07 97.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.108 0.48 . . . . 0.0 111.877 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' A' ' 633' ' ' GLU . 27.2 mt -65.58 -43.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.102 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.02 -44.46 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.401 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -35.63 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.645 HD12 HG23 ' C' ' 634' ' ' ILE . 3.0 mt -65.25 -43.84 90.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.763 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.81 -45.27 94.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.168 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.1 p -61.65 -39.73 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.95 -43.6 92.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.74 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.36 -34.16 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.05 -48.19 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.245 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.497 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.42 79.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.896 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 21.1 mttm -61.27 -38.84 88.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.36 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.489 ' H ' HG13 ' B' ' 647' ' ' ILE . 1.8 mt -67.99 -41.59 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.101 0.477 . . . . 0.0 111.162 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.483 HH21 ' HG2' ' A' ' 644' ' ' GLU . 3.4 tmm_? -56.32 -49.91 72.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -40.24 95.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -64.39 -35.83 82.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.726 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.579 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.729 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.554 ' HA ' HD21 ' A' ' 651' ' ' LEU . 5.6 tt0 -59.41 -38.68 81.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.152 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.93 -40.47 95.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.301 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -46.64 88.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.544 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.6 t -62.58 -39.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.86 -33.59 75.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.57 -51.04 55.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.7 OUTLIER -64.14 -30.02 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.659 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.61 -44.05 87.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -40.7 95.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.62 83.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.17 66.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -29.05 24.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.758 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t -67.73 -32.64 73.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 6.3 pttt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.03 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . 0.422 ' HD2' ' O ' ' C' ' 591' ' ' GLY . 5.6 m170 -140.86 81.08 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.626 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.93 132.75 19.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.579 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -79.72 125.33 29.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.727 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.526 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 96.22 -8.01 66.98 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.724 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 104.04 55.24 Favored Pre-proline 0 CA--C 1.531 0.218 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -84.41 169.72 10.9 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.554 2.169 . . . . 0.0 112.978 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' B' ' 608' ' ' ALA . 1.7 ttpt -164.96 156.25 14.82 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.101 0.477 . . . . 0.0 111.461 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.415 ' HG3' HE22 ' C' ' 606' ' ' GLN . 0.7 OUTLIER -163.93 101.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.592 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.609 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -123.42 -64.24 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.938 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.609 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.4 Cg_endo -75.47 150.69 36.56 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.434 2.089 . . . . 0.0 112.375 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -105.25 118.16 35.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.38 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -157.15 166.98 31.75 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.325 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' A' ' 600' ' ' GLU . 0.9 OUTLIER -57.57 -25.93 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.544 ' O ' HG23 ' C' ' 609' ' ' VAL . 29.6 t -73.57 -38.84 65.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.91 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.415 HE22 ' HG3' ' C' ' 599' ' ' MET . 0.8 OUTLIER -70.67 -37.09 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.13 98.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.925 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -59.2 -42.91 92.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.398 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 605' ' ' SER . 2.4 t -68.39 -33.24 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.583 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.08 -48.78 80.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.176 0.513 . . . . 0.0 111.782 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.522 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.9 OUTLIER -62.56 -43.89 97.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.419 179.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 616' ' ' VAL . 7.7 mt -59.81 -39.09 83.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.631 HH11 ' HB2' ' C' ' 613' ' ' ARG . 8.8 ttm105 -59.21 -45.57 90.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -47.94 83.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.652 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.591 HE21 HG12 ' A' ' 616' ' ' VAL . 14.1 tt0 -69.29 -36.31 76.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.998 0.427 . . . . 0.0 111.146 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.604 HG21 HD22 ' B' ' 612' ' ' LEU . 36.0 t -65.34 -46.68 89.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -42.55 95.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.31 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.13 -40.21 95.68 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.012 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.631 ' O ' HD12 ' C' ' 623' ' ' ILE . 1.9 mt -55.48 -41.79 73.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.067 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.642 ' HG3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.88 -46.27 88.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 52.1 p -65.82 -32.44 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.571 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' C' ' 626' ' ' MET . 42.8 mt -68.46 -47.93 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.631 HD12 ' O ' ' C' ' 619' ' ' LEU . 4.3 mt -63.28 -38.88 83.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -65.83 -43.24 89.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.268 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -45.83 74.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' C' ' 622' ' ' ILE . 17.3 mtt -60.99 -42.56 98.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.969 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.423 ' HG3' ' HB3' ' B' ' 626' ' ' MET . 3.2 tmtm? -64.15 -39.98 95.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.31 -39.99 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.04 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -42.42 78.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.468 ' HG3' ' HE3' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -65.32 -42.79 92.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.468 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -40.88 97.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . 0.468 ' NH2' ' HB3' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.36 -41.38 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.969 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.716 ' HB3' HG21 ' A' ' 634' ' ' ILE . 1.3 mt-10 -63.81 -42.99 97.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 111.874 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' B' ' 633' ' ' GLU . 27.2 mt -65.6 -43.23 94.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.141 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -56.09 -44.42 79.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.427 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -35.63 81.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.637 HD12 HG23 ' A' ' 634' ' ' ILE . 3.0 mt -65.28 -43.81 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.782 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.87 -45.29 94.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.2 p -61.52 -39.8 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.93 -43.59 92.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.036 0.446 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.754 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.558 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.08 -48.23 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.201 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.5 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.87 -35.52 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.781 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.497 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 21.1 mttm -61.19 -38.82 87.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -47.29 86.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.439 ' HB ' ' HD3' ' A' ' 648' ' ' ARG . 1.8 mt -68.11 -41.51 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 121.068 0.461 . . . . 0.0 111.159 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.473 HH21 ' HG2' ' B' ' 644' ' ' GLU . 3.4 tmm_? -56.24 -49.99 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.075 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -40.26 95.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.695 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -64.42 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.563 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.3 -44.88 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.549 ' HA ' HD21 ' B' ' 651' ' ' LEU . 5.6 tt0 -59.44 -38.66 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.96 -40.46 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.31 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -46.65 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.548 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.563 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.6 t -62.54 -39.23 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.82 -33.66 75.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.55 -51.12 54.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.728 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.411 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.7 OUTLIER -64.01 -30.03 48.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.7 -179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -65.63 -44.06 87.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -40.62 95.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.57 83.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -29.21 66.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.544 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -29.02 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 9.6 t -67.72 -32.65 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 6.4 pttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.049 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.429 ' HA2' HG23 ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -67.92 142.6 55.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.905 0.383 . . . . 0.0 110.677 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 4.6 mtp -122.53 140.66 52.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.62 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.429 ' HG2' ' HG2' ' B' ' 620' ' ' ARG . 0.6 OUTLIER -61.51 -44.79 96.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.742 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.16 58.33 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.832 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.728 ' HG3' ' HB3' ' B' ' 617' ' ' ARG . 2.2 mppt? 60.08 78.26 0.34 Allowed Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.648 -0.13 . . . . 0.0 110.648 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.458 ' HD2' ' CD ' ' B' ' 617' ' ' ARG . 91.9 Cg_endo -85.59 -14.7 5.41 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.607 2.205 . . . . 0.0 113.028 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.613 ' HG3' ' HD2' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -142.49 48.03 1.56 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.129 0.49 . . . . 0.0 111.46 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.653 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 1.7 ttt -59.84 -23.5 63.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.585 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -102.3 145.12 29.94 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.0 164.11 36.7 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.415 2.077 . . . . 0.0 112.392 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.4 177.43 8.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.356 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.54 -60.8 3.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.326 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 607' ' ' ALA . 0.2 OUTLIER -58.3 134.96 57.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.213 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 609' ' ' VAL . 23.7 m -71.0 -42.31 69.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -42.02 79.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 604' ' ' SER . . . -66.0 -40.99 91.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 605' ' ' SER . 62.4 t -62.86 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.3 -38.29 79.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.182 0.515 . . . . 0.0 111.783 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.31 -42.86 92.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 616' ' ' VAL . 9.9 tp -67.46 -39.62 85.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.425 ' HD2' HD13 ' C' ' 612' ' ' LEU . 2.8 tpt180 -62.43 -43.6 98.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.598 HG22 ' HG2' ' C' ' 599' ' ' MET . 13.1 p -63.53 -41.91 98.46 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.642 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -37.9 78.69 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 111.13 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 612' ' ' LEU . 88.8 t -67.02 -50.15 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.724 ' HB3' ' HG3' ' C' ' 596' ' ' LYS . 0.4 OUTLIER -60.74 -48.11 83.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -37.86 86.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 623' ' ' ILE . 53.2 tp -63.39 -40.19 96.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.664 ' HD2' HD13 ' C' ' 619' ' ' LEU . 0.7 OUTLIER -61.59 -35.35 77.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . 0.418 ' HA ' ' H ' ' C' ' 594' ' ' GLU . 0.6 OUTLIER -62.77 -39.46 94.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 619' ' ' LEU . 11.6 mt -70.09 -37.45 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.635 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.1 mp -61.66 -48.87 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.246 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.67 -34.05 75.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 3.1 m -72.26 -43.47 64.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.009 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.532 ' HG2' ' NE2' ' B' ' 630' ' ' GLN . 5.6 ttm -63.18 -35.48 80.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 1.0 OUTLIER -65.75 -51.02 62.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -28.0 65.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 625' ' ' THR . 0.0 OUTLIER -68.73 -43.15 76.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.796 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.536 ' NE2' ' HG2' ' C' ' 626' ' ' MET . 3.4 pt20 -70.04 -33.94 72.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -65.8 -38.29 88.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -72.19 -39.82 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.966 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.52 -50.75 70.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.943 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.95 -35.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.114 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 4.2 ttpp -59.48 -50.84 72.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.405 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.26 -32.5 73.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.994 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.53 88.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.763 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.32 -40.39 93.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -39.01 92.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.619 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 25.0 tt0 -68.99 -35.74 77.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 645' ' ' LYS . 0.8 OUTLIER -68.73 -38.72 80.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.803 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.77 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.486 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.43 72.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.238 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -67.43 -33.57 75.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.892 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.627 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 7.0 mttt -64.43 -45.84 85.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.767 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -65.96 -47.7 73.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.553 ' HA ' ' HD3' ' A' ' 650' ' ' ARG . 15.1 tt -65.21 -37.88 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.127 0.489 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.25 -43.44 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.637 ' HA ' ' HG3' ' A' ' 652' ' ' GLN . 6.0 tt -62.11 -39.12 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.725 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.553 ' HD3' ' HA ' ' A' ' 647' ' ' ILE . 1.0 OUTLIER -59.93 -40.95 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.758 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.6 HD22 ' HG2' ' B' ' 652' ' ' GLN . 21.9 tp -65.62 -37.09 85.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.637 ' HG3' ' HA ' ' A' ' 649' ' ' LEU . 2.0 mt-30 -58.31 -44.54 88.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.157 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -41.16 91.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.315 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.487 ' O ' HG13 ' A' ' 658' ' ' ILE . 3.0 tp10 -67.52 -40.38 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.518 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' ' 658' ' ' ILE . 53.7 t -59.04 -46.22 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.14 -35.58 77.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.722 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.53 ' CG2' HD13 ' B' ' 662' ' ' LEU . 3.2 mt -66.25 -36.17 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.649 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.4 ' HG2' HG12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -66.89 -38.77 86.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.831 0.348 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.62 -53.47 54.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.305 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.536 HD13 ' CG2' ' C' ' 658' ' ' ILE . 0.4 OUTLIER -64.47 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -32.1 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 31.3 m -63.68 -41.91 98.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.44 ' HD2' ' CD ' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.048 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.413 ' HA2' HG23 ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -67.97 142.62 55.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.923 0.392 . . . . 0.0 110.638 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 4.6 mtp -122.57 140.62 52.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.577 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.435 ' HG2' ' HG2' ' C' ' 620' ' ' ARG . 0.6 OUTLIER -61.5 -44.74 96.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.753 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.13 58.41 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.818 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.724 ' HG3' ' HB3' ' C' ' 617' ' ' ARG . 2.3 mppt? 60.11 78.26 0.34 Allowed Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.618 -0.141 . . . . 0.0 110.618 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.456 ' HD2' ' CD ' ' C' ' 617' ' ' ARG . 93.3 Cg_endo -85.66 -14.69 5.34 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.559 2.173 . . . . 0.0 112.933 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.61 ' HG3' ' HD2' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -142.44 48.06 1.56 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.076 0.465 . . . . 0.0 111.442 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.676 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 1.7 ttt -59.85 -23.47 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.576 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -102.3 145.09 29.88 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.403 ' HB3' ' HD3' ' C' ' 613' ' ' ARG . 67.3 Cg_endo -71.95 164.1 36.72 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.498 2.132 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.37 177.45 8.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.419 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.56 -60.85 2.95 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.3 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.475 ' HB3' ' HB3' ' B' ' 607' ' ' ALA . 0.2 OUTLIER -58.3 134.91 56.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.538 ' O ' HG23 ' B' ' 609' ' ' VAL . 23.5 m -70.96 -42.33 69.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.91 79.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' B' ' 604' ' ' SER . . . -66.05 -40.97 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.19 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 605' ' ' SER . 62.5 t -62.95 -48.95 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.19 -38.43 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.186 0.517 . . . . 0.0 111.778 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.28 -42.83 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.441 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 616' ' ' VAL . 9.9 tp -67.55 -39.63 84.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.787 0.327 . . . . 0.0 111.091 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.413 ' HD2' HD13 ' A' ' 612' ' ' LEU . 2.9 tpt180 -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.578 HG22 ' HG2' ' A' ' 599' ' ' MET . 13.2 p -63.52 -41.88 98.49 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.697 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -37.77 78.32 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.983 0.421 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 612' ' ' LEU . 88.7 t -67.09 -50.11 66.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.728 ' HB3' ' HG3' ' A' ' 596' ' ' LYS . 0.4 OUTLIER -60.82 -48.08 83.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.294 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -37.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.978 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.754 ' O ' HD12 ' B' ' 623' ' ' ILE . 53.2 tp -63.46 -40.18 96.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.647 ' HD2' HD13 ' A' ' 619' ' ' LEU . 0.7 OUTLIER -61.66 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.414 ' HA ' ' H ' ' A' ' 594' ' ' GLU . 0.6 OUTLIER -62.89 -39.31 94.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' B' ' 619' ' ' LEU . 11.6 mt -70.14 -37.49 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.616 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.754 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.1 mp -61.69 -48.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.7 -33.95 74.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.256 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 3.1 m -72.22 -43.59 64.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.009 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.532 ' HG2' ' NE2' ' C' ' 630' ' ' GLN . 5.6 ttm -63.13 -35.47 80.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 1.0 OUTLIER -65.82 -50.93 62.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -28.03 65.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.069 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' B' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.1 76.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 3.4 pt20 -70.15 -33.96 72.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -65.73 -38.29 88.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -72.25 -39.72 68.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.969 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.66 -50.69 70.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 111.879 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.99 -35.87 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.069 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 4.3 ttpp -59.41 -50.86 72.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.27 -32.52 73.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -44.49 88.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.3 -40.42 93.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.05 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.793 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.605 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 25.0 tt0 -68.93 -35.71 77.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' B' ' 645' ' ' LYS . 0.8 OUTLIER -68.8 -38.76 80.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.758 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -29.71 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -69.56 -43.47 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.872 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.619 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 6.9 mttt -64.43 -45.78 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.0 -47.72 73.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.176 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.566 ' HA ' ' HD3' ' B' ' 650' ' ' ARG . 15.2 tt -65.24 -37.91 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.092 0.472 . . . . 0.0 111.144 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.15 -43.51 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.655 ' HA ' ' HG3' ' B' ' 652' ' ' GLN . 5.9 tt -62.06 -39.04 91.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.77 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.566 ' HD3' ' HA ' ' B' ' 647' ' ' ILE . 1.0 OUTLIER -60.04 -40.95 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' C' ' 652' ' ' GLN . 22.1 tp -65.68 -37.1 85.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.655 ' HG3' ' HA ' ' B' ' 649' ' ' LEU . 2.0 mt-30 -58.25 -44.53 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -41.22 91.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 658' ' ' ILE . 3.0 tp10 -67.38 -40.51 85.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.468 ' HA ' HD12 ' B' ' 658' ' ' ILE . 54.3 t -58.92 -46.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.21 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.12 -35.61 77.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.22 -42.56 98.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.529 ' CG2' HD13 ' C' ' 662' ' ' LEU . 3.2 mt -66.16 -36.2 76.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.591 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -38.69 86.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.852 0.358 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.64 -53.55 52.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.08 79.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.39 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.53 HD13 ' CG2' ' A' ' 658' ' ' ILE . 0.4 OUTLIER -64.38 -33.89 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.78 -32.13 31.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 31.4 m -63.75 -41.83 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.067 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.44 ' HE3' ' HE3' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.428 ' HA2' HG23 ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -67.96 142.63 55.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.947 0.403 . . . . 0.0 110.654 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 4.6 mtp -122.59 140.66 52.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.55 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.43 ' HG2' ' HG2' ' A' ' 620' ' ' ARG . 0.6 OUTLIER -61.52 -44.81 96.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.685 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 100.92 -15.13 58.41 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.824 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.724 ' HG3' ' HB3' ' A' ' 617' ' ' ARG . 2.3 mppt? 60.1 78.26 0.34 Allowed Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.46 ' HD2' ' CD ' ' A' ' 617' ' ' ARG . 92.4 Cg_endo -85.58 -14.73 5.41 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.603 2.202 . . . . 0.0 113.036 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.59 ' HG3' ' HD2' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -142.43 48.01 1.57 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.064 0.459 . . . . 0.0 111.463 -179.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.668 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 1.7 ttt -59.76 -23.58 63.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.586 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -102.3 145.03 29.79 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.983 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.409 ' HB3' ' HD3' ' A' ' 613' ' ' ARG . 67.3 Cg_endo -71.86 164.14 36.63 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.468 2.112 . . . . 0.0 112.437 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.41 177.39 8.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.39 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.57 -60.8 3.02 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' C' ' 607' ' ' ALA . 0.2 OUTLIER -58.33 134.92 57.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 -179.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.543 ' O ' HG23 ' C' ' 609' ' ' VAL . 23.8 m -71.0 -42.29 69.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -41.89 79.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' C' ' 604' ' ' SER . . . -66.08 -40.99 91.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.16 91.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.398 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.543 HG23 ' O ' ' C' ' 605' ' ' SER . 62.6 t -62.87 -48.96 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.31 -38.27 79.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.201 0.524 . . . . 0.0 111.789 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.32 -42.9 92.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.452 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.707 ' O ' HG23 ' C' ' 616' ' ' VAL . 9.9 tp -67.52 -39.56 85.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' B' ' 612' ' ' LEU . 2.8 tpt180 -62.47 -43.57 98.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.039 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.594 HG22 ' HG2' ' B' ' 599' ' ' MET . 13.2 p -63.56 -41.89 98.39 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.643 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -37.8 78.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.707 HG23 ' O ' ' C' ' 612' ' ' LEU . 89.1 t -67.07 -50.08 67.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.724 ' HB3' ' HG3' ' B' ' 596' ' ' LYS . 0.4 OUTLIER -60.87 -47.96 83.97 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.369 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -37.78 86.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.75 ' O ' HD12 ' C' ' 623' ' ' ILE . 53.3 tp -63.46 -40.11 96.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.662 ' HD2' HD13 ' B' ' 619' ' ' LEU . 0.7 OUTLIER -61.65 -35.23 77.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' B' ' 594' ' ' GLU . 0.6 OUTLIER -62.93 -39.32 94.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.57 179.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' C' ' 619' ' ' LEU . 11.5 mt -70.16 -37.4 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.062 0.458 . . . . 0.0 111.643 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.75 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.1 mp -61.68 -48.94 86.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.65 -33.99 74.91 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 3.1 m -72.26 -43.61 64.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.536 ' HG2' ' NE2' ' A' ' 630' ' ' GLN . 5.6 ttm -63.01 -35.54 80.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.98 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 1.0 OUTLIER -65.77 -50.89 63.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . 0.401 ' HB3' HH21 ' C' ' 632' ' ' ARG . 0.5 OUTLIER -70.17 -27.92 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.104 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' C' ' 625' ' ' THR . 0.0 OUTLIER -68.74 -43.18 76.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.787 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.532 ' NE2' ' HG2' ' B' ' 626' ' ' MET . 3.4 pt20 -70.04 -34.05 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -65.72 -38.26 88.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . 0.401 HH21 ' HB3' ' C' ' 628' ' ' ASP . 29.5 mtt180 -72.21 -39.79 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.59 -50.71 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 0.0 111.904 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 1.4 pp -67.96 -35.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.111 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 4.3 ttpp -59.39 -50.78 72.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.477 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.39 -32.48 73.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -44.57 88.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.17 -40.44 94.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.132 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -39.01 92.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.627 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 25.0 tt0 -68.98 -35.77 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' C' ' 645' ' ' LYS . 0.8 OUTLIER -68.71 -38.71 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.833 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -29.71 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.527 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -69.59 -43.45 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.209 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.483 ' HA ' HG22 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -67.41 -33.62 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.85 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.605 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 7.0 mttt -64.47 -45.79 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.63 73.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.252 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.557 ' HA ' ' HD3' ' C' ' 650' ' ' ARG . 15.1 tt -65.19 -37.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.104 0.478 . . . . 0.0 111.294 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.31 -43.43 81.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.64 ' HA ' ' HG3' ' C' ' 652' ' ' GLN . 6.0 tt -62.13 -39.02 91.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.741 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.557 ' HD3' ' HA ' ' C' ' 647' ' ' ILE . 1.0 OUTLIER -60.05 -40.91 91.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.706 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.604 HD22 ' HG2' ' A' ' 652' ' ' GLN . 22.1 tp -65.63 -37.12 85.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.64 ' HG3' ' HA ' ' C' ' 649' ' ' LEU . 2.0 mt-30 -58.28 -44.45 88.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.193 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -41.16 91.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.261 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.49 ' O ' HG13 ' C' ' 658' ' ' ILE . 3.0 tp10 -67.43 -40.47 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' C' ' 658' ' ' ILE . 54.0 t -58.99 -46.23 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.08 -35.6 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.35 -42.52 98.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.536 ' CG2' HD13 ' A' ' 662' ' ' LEU . 3.1 mt -66.13 -36.21 76.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.693 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.76 86.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.55 -53.48 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.94 78.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.295 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.529 HD13 ' CG2' ' B' ' 658' ' ' ILE . 0.4 OUTLIER -64.46 -33.84 76.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -32.17 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 31.2 m -63.72 -41.9 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.442 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.71 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.01 82.73 2.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.92 0.39 . . . . 0.0 110.636 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 5.2 mtp -152.33 111.09 3.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.573 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.453 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 47.6 mm-40 -58.1 125.18 22.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.699 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.555 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 98.28 7.87 55.59 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.755 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 98.54 51.22 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.578 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 92.4 Cg_endo -85.45 116.13 1.66 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.593 2.196 . . . . 0.0 112.998 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' C' ' 604' ' ' SER . 2.0 ttpt -124.66 114.16 18.97 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.042 0.449 . . . . 0.0 111.432 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.73 77.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.604 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.547 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.3 OUTLIER -101.92 -69.94 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.022 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.596 ' CD ' ' HB2' ' C' ' 604' ' ' SER . 66.9 Cg_endo -73.46 118.71 5.61 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.379 2.053 . . . . 0.0 112.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.12 131.01 37.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.394 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.71 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -166.75 173.56 9.45 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.348 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.584 ' HB2' ' CD ' ' B' ' 601' ' ' PRO . 1.2 m -54.73 -42.47 71.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t -64.11 -38.6 91.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -24.43 59.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -63.42 -41.54 98.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.85 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -61.17 -38.95 88.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.47 -33.87 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.455 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 3.8 mm-40 -62.8 -43.54 98.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.153 0.501 . . . . 0.0 111.74 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.529 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.4 OUTLIER -65.6 -43.63 89.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.388 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.977 HD21 ' HA ' ' B' ' 613' ' ' ARG . 12.5 mt -59.59 -43.02 93.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.329 . . . . 0.0 111.084 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.95 ' HA ' HD21 ' C' ' 612' ' ' LEU . 25.5 ttm180 -57.84 -35.76 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.56 81.37 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.653 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -29.96 65.03 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.966 0.412 . . . . 0.0 111.118 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.765 HG21 HD22 ' C' ' 612' ' ' LEU . 73.8 t -66.77 -46.18 86.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.44 -45.66 89.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.513 ' O ' ' HB ' ' A' ' 622' ' ' ILE . 13.6 mt -63.95 -48.32 76.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.594 ' HA ' HD12 ' A' ' 623' ' ' ILE . 2.7 ttm180 -57.94 -51.2 70.6 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 65.2 p -61.17 -23.84 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.513 ' HB ' ' O ' ' A' ' 619' ' ' LEU . 2.1 mt -68.35 -50.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.043 0.449 . . . . 0.0 111.629 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -65.6 -36.52 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.25 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.13 -44.72 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.63 -43.32 94.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.004 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.578 ' SD ' HG22 ' B' ' 623' ' ' ILE . 39.5 mtt -67.69 -30.68 70.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.517 ' HA ' HE22 ' C' ' 630' ' ' GLN . 4.4 tmtm? -69.16 -42.74 75.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.12 -38.55 85.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.006 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.24 -44.14 92.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.795 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.528 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.2 OUTLIER -69.71 -35.7 75.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.003 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -44.9 93.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -43.83 97.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.533 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.4 mm-40 -61.51 -44.03 97.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 111.874 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.546 HG21 ' HB3' ' C' ' 633' ' ' GLU . 90.4 mt -64.33 -38.6 82.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.096 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.72 ' HA ' ' HE3' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.45 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.3 -38.12 89.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.616 HD23 HD12 ' B' ' 641' ' ' LEU . 0.4 OUTLIER -64.15 -42.83 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.14 -46.75 85.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.67 -32.23 73.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.8 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.728 ' HB3' HD13 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -66.43 -40.29 89.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.9 OUTLIER -66.36 -38.19 87.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.75 179.612 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.93 -43.68 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.571 ' O ' HD12 ' A' ' 647' ' ' ILE . 31.6 tt0 -58.56 -47.21 85.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.265 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -59.24 -40.36 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.446 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 5.8 mttt -61.93 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 19.5 mtmm -59.4 -47.06 86.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 643' ' ' GLU . 3.6 mt -67.28 -34.02 66.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 111.185 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.51 ' NH2' HD13 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -63.33 -42.56 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.059 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 646' ' ' LYS . 11.1 mt -57.53 -46.88 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.495 HH21 HG13 ' A' ' 647' ' ' ILE . 44.9 mtm-85 -60.11 -38.82 84.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.715 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.774 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.51 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 1.5 tt0 -61.4 -38.68 87.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.93 -37.38 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 111.324 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 658' ' ' ILE . 0.6 OUTLIER -63.97 -41.13 97.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.531 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 651' ' ' LEU . 1.5 t -71.13 -39.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.028 0.442 . . . . 0.0 111.217 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -65.98 -37.69 86.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.12 -47.17 68.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' B' ' 659' ' ' LYS . 8.7 tt -68.95 -31.04 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.701 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.591 ' HA ' HD12 ' C' ' 658' ' ' ILE . 10.2 tptt -64.19 -47.11 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.23 -42.95 92.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.16 79.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.354 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.565 HD22 HG13 ' C' ' 658' ' ' ILE . 0.8 OUTLIER -63.02 -42.61 99.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.534 179.567 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -20.97 37.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.2 m -71.2 -41.43 70.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.88 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.71 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.95 82.73 2.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.936 0.398 . . . . 0.0 110.684 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 5.2 mtp -152.36 111.05 3.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.572 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 47.7 mm-40 -58.19 125.23 22.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.751 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.529 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 98.29 7.72 55.73 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.744 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 98.6 51.34 Favored Pre-proline 0 CA--C 1.531 0.234 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.4 Cg_endo -85.49 116.17 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.578 2.185 . . . . 0.0 112.992 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 604' ' ' SER . 2.0 ttpt -124.62 114.16 18.99 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.982 0.42 . . . . 0.0 111.462 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.76 77.56 1.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.554 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.548 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.3 OUTLIER -102.03 -70.0 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.972 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.584 ' CD ' ' HB2' ' A' ' 604' ' ' SER . 66.3 Cg_endo -73.43 118.69 5.6 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.419 2.079 . . . . 0.0 112.389 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.1 131.0 37.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.389 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.716 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -166.78 173.59 9.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.361 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.582 ' HB2' ' CD ' ' C' ' 601' ' ' PRO . 1.2 m -54.73 -42.45 71.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t -64.12 -38.53 91.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.92 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.96 -24.45 59.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -63.42 -41.51 98.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -61.17 -39.02 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.367 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.42 -33.88 66.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.611 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.445 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 3.8 mm-40 -62.68 -43.6 98.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.208 0.528 . . . . 0.0 111.788 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.546 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.4 OUTLIER -65.6 -43.48 89.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.523 179.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.965 HD21 ' HA ' ' C' ' 613' ' ' ARG . 12.5 mt -59.66 -43.04 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.977 ' HA ' HD21 ' A' ' 612' ' ' LEU . 25.4 ttm180 -57.88 -35.74 71.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.97 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -42.47 81.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.649 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.75 -30.02 65.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.759 HG21 HD22 ' A' ' 612' ' ' LEU . 74.1 t -66.77 -46.3 85.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -45.61 90.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.35 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -29.76 70.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' B' ' 622' ' ' ILE . 13.6 mt -63.97 -48.35 76.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' B' ' 623' ' ' ILE . 2.7 ttm180 -57.85 -51.35 69.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 65.3 p -61.11 -23.77 65.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.671 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' B' ' 619' ' ' LEU . 2.1 mt -68.35 -50.67 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.594 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.66 -36.49 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.224 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.11 -44.77 91.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.7 p -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.042 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.566 ' SD ' HG22 ' C' ' 623' ' ' ILE . 39.5 mtt -67.62 -30.7 70.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.528 ' HA ' HE22 ' A' ' 630' ' ' GLN . 4.4 tmtm? -69.13 -42.71 75.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.15 -38.55 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -64.33 -44.03 92.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.749 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.521 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -69.76 -35.72 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.921 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -44.84 93.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -43.86 97.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.017 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.537 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.4 mm-40 -61.5 -44.06 97.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.047 0.451 . . . . 0.0 111.873 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.544 HG23 HD12 ' A' ' 637' ' ' LEU . 90.4 mt -64.27 -38.67 83.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.72 ' HA ' ' HE3' ' B' ' 635' ' ' LYS . 0.0 OUTLIER -62.13 -46.47 88.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.465 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -64.23 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.924 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.599 HD23 HD12 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.14 -42.93 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.714 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.1 -46.75 85.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 50.8 p -63.59 -32.3 73.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.718 ' HB3' HD13 ' C' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.081 0.467 . . . . 0.0 110.911 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.9 OUTLIER -66.26 -38.32 87.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.766 179.539 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.9 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.515 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.582 ' O ' HD12 ' B' ' 647' ' ' ILE . 31.9 tt0 -58.65 -47.21 85.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.207 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.433 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -59.16 -40.39 85.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.906 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.449 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 5.8 mttt -61.97 -42.95 99.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.74 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 19.6 mtmm -59.31 -47.06 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.242 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.582 HD12 ' O ' ' B' ' 643' ' ' GLU . 3.6 mt -67.38 -33.87 65.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 121.063 0.459 . . . . 0.0 111.169 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.502 ' NH2' HD13 ' A' ' 647' ' ' ILE . 0.8 OUTLIER -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.004 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' B' ' 646' ' ' LYS . 11.2 mt -57.45 -46.95 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.488 HH21 HG13 ' B' ' 647' ' ' ILE . 44.8 mtm-85 -60.07 -38.9 84.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.769 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.2 -45.1 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.492 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 1.5 tt0 -61.44 -38.65 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.134 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -66.98 -37.34 84.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.288 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.448 ' O ' HG22 ' B' ' 658' ' ' ILE . 0.6 OUTLIER -63.95 -41.21 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.549 179.564 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 651' ' ' LEU . 1.5 t -70.99 -39.1 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.174 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -65.97 -37.67 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.14 -47.04 69.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' C' ' 659' ' ' LYS . 8.7 tt -69.02 -31.04 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.658 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 658' ' ' ILE . 10.2 tptt -64.23 -47.06 81.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.26 -42.85 92.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.11 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.389 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.554 HD22 HG13 ' A' ' 658' ' ' ILE . 0.8 OUTLIER -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -21.04 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.9 m -71.08 -41.46 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.862 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.716 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.98 82.71 2.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 0.0 110.675 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 5.2 mtp -152.32 111.1 3.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.565 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.445 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 47.6 mm-40 -58.17 125.2 22.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.673 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.546 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 98.26 7.88 55.61 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.751 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 98.58 51.25 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 91.4 Cg_endo -85.53 116.19 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.552 2.168 . . . . 0.0 112.983 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.494 ' HE2' ' HA ' ' B' ' 604' ' ' SER . 2.0 ttpt -124.69 114.13 18.91 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.081 0.467 . . . . 0.0 111.446 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.71 77.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.567 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.3 OUTLIER -102.0 -69.95 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.997 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.582 ' CD ' ' HB2' ' B' ' 604' ' ' SER . 66.9 Cg_endo -73.52 118.69 5.59 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.388 2.059 . . . . 0.0 112.406 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.08 131.02 37.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.398 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.71 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -166.78 173.6 9.38 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.38 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.596 ' HB2' ' CD ' ' A' ' 601' ' ' PRO . 1.2 m -54.75 -42.46 71.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 4.3 t -64.07 -38.58 91.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.85 -24.53 59.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -63.4 -41.48 98.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.578 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -61.25 -38.95 88.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.395 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 4.7 t -66.45 -33.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 3.8 mm-40 -62.64 -43.67 98.22 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.101 0.477 . . . . 0.0 111.753 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.555 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.4 OUTLIER -65.53 -43.6 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.426 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.95 HD21 ' HA ' ' A' ' 613' ' ' ARG . 12.5 mt -59.69 -42.99 94.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.965 ' HA ' HD21 ' B' ' 612' ' ' LEU . 25.5 ttm180 -57.85 -35.76 71.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.024 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -42.54 81.38 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.646 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.76 -30.01 65.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.142 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 612' ' ' LEU . 73.9 t -66.7 -46.31 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.184 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.25 -45.74 90.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.3 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -29.75 70.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.499 ' O ' ' HB ' ' C' ' 622' ' ' ILE . 13.6 mt -63.98 -48.34 76.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.008 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.602 ' HA ' HD12 ' C' ' 623' ' ' ILE . 2.8 ttm180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 65.1 p -61.15 -23.85 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' C' ' 619' ' ' LEU . 2.2 mt -68.26 -50.68 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.655 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.67 HG12 HG12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -65.58 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.249 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.15 -44.71 91.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 8.8 p -64.6 -43.32 94.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.037 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.573 ' SD ' HG22 ' A' ' 623' ' ' ILE . 39.5 mtt -67.69 -30.62 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.521 ' HA ' HE22 ' B' ' 630' ' ' GLN . 4.4 tmtm? -69.22 -42.69 75.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -67.1 -38.55 85.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -64.31 -44.08 92.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.79 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.517 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -69.74 -35.72 75.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -44.8 93.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.011 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.546 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.4 mm-40 -61.47 -44.06 97.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.901 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.546 HG23 HD12 ' B' ' 637' ' ' LEU . 90.5 mt -64.3 -38.58 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.101 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.722 ' HA ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -62.12 -46.52 88.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -179.548 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -64.32 -38.06 89.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.627 HD23 HD12 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.2 -42.82 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.16 -46.67 86.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.151 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 51.4 p -63.72 -32.19 73.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.737 ' HB3' HD13 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -66.38 -40.39 89.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.016 0.436 . . . . 0.0 110.839 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.9 OUTLIER -66.27 -38.24 87.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.86 -43.69 98.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.513 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.575 ' O ' HD12 ' C' ' 647' ' ' ILE . 31.7 tt0 -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.446 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -59.21 -40.43 85.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.932 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.433 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 5.8 mttt -61.94 -42.96 99.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.717 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 19.6 mtmm -59.21 -47.18 86.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.575 HD12 ' O ' ' C' ' 643' ' ' GLU . 3.6 mt -67.21 -33.96 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.101 0.476 . . . . 0.0 111.248 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.506 ' NH2' HD13 ' B' ' 647' ' ' ILE . 0.8 OUTLIER -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.822 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' C' ' 646' ' ' LYS . 11.3 mt -57.58 -46.89 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.691 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.491 HH21 HG13 ' C' ' 647' ' ' ILE . 44.7 mtm-85 -60.02 -38.87 83.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.763 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.19 -45.11 95.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.505 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 1.5 tt0 -61.38 -38.66 87.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.197 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 6.6 mtt -67.03 -37.33 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.219 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.446 ' O ' HG22 ' C' ' 658' ' ' ILE . 0.6 OUTLIER -64.02 -41.07 97.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.532 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.763 HG23 ' O ' ' C' ' 651' ' ' LEU . 1.5 t -71.13 -39.07 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 111.166 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.02 -37.64 86.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.16 -47.14 68.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.724 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 659' ' ' LYS . 8.7 tt -68.93 -31.06 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.652 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.589 ' HA ' HD12 ' B' ' 658' ' ' ILE . 10.2 tptt -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.852 0.358 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -59.24 -42.82 91.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.27 80.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.305 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.568 HD22 HG13 ' B' ' 658' ' ' ILE . 0.8 OUTLIER -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.606 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -21.0 37.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.3 m -71.19 -41.4 70.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.873 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 6.5 pttp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.532 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -125.34 76.06 1.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.628 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.74 117.4 21.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.586 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 2.4 mm-40 -71.34 122.15 19.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.714 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 109.19 -18.39 30.81 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.717 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 106.59 56.86 Favored Pre-proline 0 CA--C 1.532 0.259 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.591 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 93.6 Cg_endo -85.72 149.37 9.86 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.525 2.15 . . . . 0.0 113.016 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.676 ' HE3' ' HB3' ' C' ' 604' ' ' SER . 2.1 ttpt -145.59 136.43 24.5 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.989 0.424 . . . . 0.0 111.449 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.11 53.89 1.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.575 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.407 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.1 OUTLIER -84.94 -62.25 0.26 Allowed Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.959 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.3 Cg_endo -73.18 109.8 2.91 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.537 2.158 . . . . 0.0 112.404 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -80.58 123.16 27.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.388 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.533 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -157.62 161.66 38.67 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.67 ' HB3' ' HE3' ' B' ' 598' ' ' LYS . 0.1 OUTLIER -60.36 -34.82 74.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -28.76 70.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.42 -25.1 54.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.508 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -58.91 -41.07 86.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -62.95 -35.07 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.436 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.83 -42.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 1.1 mm-40 -62.0 -44.21 97.2 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 111.799 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.434 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER -57.83 -44.38 86.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.485 179.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.89 HD21 ' HA ' ' B' ' 613' ' ' ARG . 8.5 mt -64.57 -39.3 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.873 ' HA ' HD21 ' C' ' 612' ' ' LEU . 24.9 ttm180 -59.09 -41.39 87.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -43.36 97.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.619 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.784 ' O ' HD12 ' A' ' 619' ' ' LEU . 5.1 tt0 -69.77 -36.22 75.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.051 0.453 . . . . 0.0 111.208 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 612' ' ' LEU . 84.8 t -64.27 -50.03 78.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.92 93.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.31 -38.32 84.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.017 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 615' ' ' GLN . 0.2 OUTLIER -58.11 -46.98 84.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.028 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.522 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.77 79.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -36.19 75.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.55 -42.57 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.556 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 620' ' ' ARG . 9.5 mt -64.77 -36.62 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.197 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.53 -52.78 59.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.272 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -48.04 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.711 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 27.7 mtt -56.55 -41.6 77.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.691 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 2.2 tmtm? -65.8 -40.74 92.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -64.89 -39.4 93.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.426 ' HG3' ' HE3' ' B' ' 631' ' ' LYS . 0.2 OUTLIER -63.99 -43.55 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.423 ' HE3' ' HG3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -61.16 -43.54 98.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -41.08 98.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.992 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.5 mt-10 -66.05 -41.35 90.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 0.0 111.853 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' C' ' 633' ' ' GLU . 16.2 mt -62.05 -48.06 90.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.139 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.16 -44.71 83.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.459 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -60.32 -44.68 95.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.004 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.511 HD11 ' HG ' ' B' ' 638' ' ' LEU . 0.3 OUTLIER -60.1 -42.26 94.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' C' ' 637' ' ' LEU . 10.5 mt -61.71 -47.82 83.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.076 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.28 -38.31 79.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -43.25 85.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.006 0.431 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.489 ' N ' HD11 ' B' ' 641' ' ' LEU . 4.5 tt -61.08 -41.87 97.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.786 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -35.35 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.474 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 647' ' ' ILE . 20.2 tt0 -64.39 -43.82 93.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.199 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.409 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -62.85 -33.99 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.526 ' O ' ' HG ' ' A' ' 649' ' ' LEU . 9.1 mttt -65.44 -37.15 86.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 649' ' ' LEU . 8.7 mtmm -65.95 -51.04 62.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 643' ' ' GLU . 3.6 mt -60.88 -43.16 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 648' ' ' ARG . 3.3 tmm_? -61.47 -34.83 76.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.054 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 645' ' ' LYS . 47.6 mt -61.69 -45.01 95.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.53 -33.99 77.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.667 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -61.29 -43.11 99.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.22 -36.96 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 12.1 mtm -61.67 -44.73 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.271 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.42 -44.2 95.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.6 t -61.67 -43.54 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -35.35 80.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.79 -48.65 68.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.665 HG13 HD13 ' B' ' 662' ' ' LEU . 10.7 tt -67.19 -30.11 48.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.646 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' C' ' 658' ' ' ILE . 19.8 tptt -70.69 -38.7 73.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.59 81.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.22 81.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.667 HD13 HG13 ' C' ' 658' ' ' ILE . 2.6 tt -59.73 -35.48 74.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.524 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.21 -23.06 47.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m -74.1 -36.81 64.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.533 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -125.37 76.02 1.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.714 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.75 117.43 21.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.568 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 2.4 mm-40 -71.28 122.12 19.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.746 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 109.18 -18.39 30.85 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.754 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.56 106.56 56.87 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.7 Cg_endo -85.64 149.29 9.96 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.59 2.193 . . . . 0.0 113.026 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.67 ' HE3' ' HB3' ' A' ' 604' ' ' SER . 2.1 ttpt -145.54 136.41 24.54 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.04 0.448 . . . . 0.0 111.471 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.07 53.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.566 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.418 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.1 OUTLIER -84.89 -62.29 0.26 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.98 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.4 Cg_endo -73.16 109.8 2.91 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.53 2.153 . . . . 0.0 112.391 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -80.53 123.24 27.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.392 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.532 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -157.71 161.61 38.55 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.329 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.674 ' HB3' ' HE3' ' C' ' 598' ' ' LYS . 0.1 OUTLIER -60.36 -34.77 74.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 -179.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -28.78 70.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -25.05 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -58.9 -41.12 86.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.59 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -62.96 -35.06 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.85 -42.16 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.528 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 1.1 mm-40 -62.01 -44.12 97.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.12 0.485 . . . . 0.0 111.842 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.423 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER -57.83 -44.46 86.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.468 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.886 HD21 ' HA ' ' C' ' 613' ' ' ARG . 8.5 mt -64.51 -39.35 93.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.89 ' HA ' HD21 ' A' ' 612' ' ' LEU . 24.8 ttm180 -59.07 -41.41 87.91 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -43.38 97.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.643 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.761 ' O ' HD12 ' B' ' 619' ' ' LEU . 5.1 tt0 -69.68 -36.24 75.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.081 0.467 . . . . 0.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.683 HG23 ' O ' ' B' ' 612' ' ' LEU . 85.0 t -64.25 -50.0 78.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.9 92.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.32 -38.4 84.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.761 HD12 ' O ' ' B' ' 615' ' ' GLN . 0.2 OUTLIER -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.525 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -56.4 -43.7 79.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -36.1 75.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.6 -42.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.585 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' B' ' 620' ' ' ARG . 9.6 mt -64.82 -36.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.197 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.67 -52.63 59.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.91 81.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.978 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.704 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 27.7 mtt -56.7 -41.57 77.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.711 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 2.2 tmtm? -65.83 -40.74 92.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.82 -39.45 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -47.68 78.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.429 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.2 OUTLIER -64.02 -43.53 95.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.76 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.426 ' HE3' ' HG3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -61.1 -43.63 98.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -41.1 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.5 mt-10 -65.97 -41.32 91.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 111.906 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 633' ' ' GLU . 16.1 mt -62.16 -48.07 90.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.025 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.17 -44.65 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.451 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -60.38 -44.66 95.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' C' ' 638' ' ' LEU . 0.3 OUTLIER -60.05 -42.26 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 637' ' ' LEU . 10.4 mt -61.73 -47.78 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 13.1 p -59.31 -38.24 79.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.775 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -43.24 85.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 641' ' ' LEU . 4.5 tt -61.2 -41.76 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.755 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.47 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.44 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.515 ' O ' HD12 ' B' ' 647' ' ' ILE . 20.0 tt0 -64.32 -43.81 93.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.249 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.417 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -62.78 -34.17 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.867 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' B' ' 649' ' ' LEU . 9.1 mttt -65.27 -37.15 86.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.492 ' HA ' HD12 ' B' ' 649' ' ' LEU . 8.7 mtmm -66.04 -50.94 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.515 HD12 ' O ' ' B' ' 643' ' ' GLU . 3.6 mt -60.97 -43.15 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 111.196 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -61.43 -34.87 76.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 645' ' ' LYS . 47.4 mt -61.61 -45.07 95.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.45 -34.06 77.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.673 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -61.27 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.08 -36.99 84.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.178 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.63 -44.76 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.262 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.2 95.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 651' ' ' LEU . 42.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -35.37 80.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.76 68.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.66 HG13 HD13 ' C' ' 662' ' ' LEU . 10.8 tt -67.1 -30.16 48.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.678 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 658' ' ' ILE . 19.8 tptt -70.65 -38.66 73.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -46.59 81.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.29 81.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.665 HD13 HG13 ' A' ' 658' ' ' ILE . 2.7 tt -59.72 -35.43 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.26 -23.08 47.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m -74.09 -36.83 64.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.532 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -125.42 76.1 1.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.593 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.72 117.42 21.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.62 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.528 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 2.4 mm-40 -71.32 122.15 19.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.776 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 109.13 -18.33 31.02 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.775 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.59 106.61 56.85 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 93.1 Cg_endo -85.67 149.35 9.93 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.565 2.176 . . . . 0.0 112.977 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.674 ' HE3' ' HB3' ' B' ' 604' ' ' SER . 2.1 ttpt -145.62 136.41 24.44 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.032 0.444 . . . . 0.0 111.475 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.14 53.89 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.607 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.412 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.1 OUTLIER -84.84 -62.3 0.26 Allowed Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.998 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.8 Cg_endo -73.14 109.9 2.93 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.424 2.083 . . . . 0.0 112.423 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -80.57 123.22 27.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.389 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.532 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -157.68 161.58 38.58 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.311 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.676 ' HB3' ' HE3' ' A' ' 598' ' ' LYS . 0.1 OUTLIER -60.29 -34.73 74.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.298 -179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -28.78 70.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -25.15 54.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -58.82 -41.18 86.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -62.84 -35.13 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.467 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.77 -42.05 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.533 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 1.1 mm-40 -62.13 -44.15 97.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.176 0.513 . . . . 0.0 111.733 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.44 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER -57.83 -44.42 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.417 179.448 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' A' ' 613' ' ' ARG . 8.4 mt -64.62 -39.35 93.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.021 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.886 ' HA ' HD21 ' B' ' 612' ' ' LEU . 24.8 ttm180 -59.06 -41.37 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -43.28 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.784 ' O ' HD12 ' C' ' 619' ' ' LEU . 5.1 tt0 -69.8 -36.22 75.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.042 0.448 . . . . 0.0 111.191 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.694 HG23 ' O ' ' C' ' 612' ' ' LEU . 84.8 t -64.32 -50.05 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -38.94 92.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.24 -38.47 85.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.784 HD12 ' O ' ' C' ' 615' ' ' GLN . 0.2 OUTLIER -58.07 -47.03 84.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.526 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -56.34 -43.8 79.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.12 75.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.56 -42.6 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 111.609 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 9.6 mt -64.82 -36.6 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.201 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.57 -52.74 59.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -47.98 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.691 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 27.7 mtt -56.61 -41.62 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.704 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 2.2 tmtm? -65.76 -40.84 92.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.056 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.76 -39.42 93.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -47.57 78.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.425 HE22 ' HG2' ' A' ' 627' ' ' LYS . 0.2 OUTLIER -64.07 -43.52 95.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.419 ' HE3' ' HG3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -61.11 -43.55 98.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -41.08 97.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.022 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.512 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.5 mt-10 -66.09 -41.27 90.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.065 0.46 . . . . 0.0 111.904 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' B' ' 633' ' ' GLU . 16.2 mt -62.09 -48.1 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? -57.15 -44.68 83.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.4 -44.65 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' A' ' 638' ' ' LEU . 0.3 OUTLIER -60.03 -42.27 94.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 179.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' B' ' 637' ' ' LEU . 10.5 mt -61.73 -47.77 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 13.2 p -59.32 -38.29 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.763 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -43.3 85.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.488 HD11 ' N ' ' B' ' 641' ' ' LEU . 4.5 tt -61.12 -41.8 97.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.778 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.4 80.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.502 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.516 ' O ' HD12 ' C' ' 647' ' ' ILE . 20.1 tt0 -64.34 -43.87 93.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.153 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.415 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -62.75 -34.19 76.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.89 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.528 ' O ' ' HG ' ' C' ' 649' ' ' LEU . 9.1 mttt -65.3 -37.15 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.698 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.488 ' HA ' HD12 ' C' ' 649' ' ' LEU . 8.7 mtmm -66.01 -50.94 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.246 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.516 HD12 ' O ' ' C' ' 643' ' ' GLU . 3.6 mt -60.92 -43.21 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.072 0.463 . . . . 0.0 111.215 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 648' ' ' ARG . 3.3 tmm_? -61.44 -34.8 76.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.077 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' C' ' 645' ' ' LYS . 47.4 mt -61.69 -44.99 95.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -65.46 -34.06 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.66 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -61.25 -43.13 99.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.17 -36.98 84.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 12.0 mtm -61.55 -44.79 96.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.337 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.47 -44.16 95.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.66 HG23 ' O ' ' C' ' 651' ' ' LEU . 42.5 t -61.67 -43.51 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.28 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -35.37 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.73 -48.81 68.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.667 HG13 HD13 ' A' ' 662' ' ' LEU . 10.8 tt -67.03 -30.17 48.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.695 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' B' ' 658' ' ' ILE . 19.8 tptt -70.66 -38.67 73.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -46.68 81.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.21 -46.19 81.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.326 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.66 HD13 HG13 ' B' ' 658' ' ' ILE . 2.6 tt -59.84 -35.37 74.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.522 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.27 -23.1 47.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.6 m -74.02 -36.79 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.102 -0.952 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -126.11 63.53 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.937 0.399 . . . . 0.0 110.714 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.83 128.66 41.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.62 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -73.43 125.14 27.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.709 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.575 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 97.77 -12.07 64.4 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.778 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.473 ' O ' ' HB1' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -107.34 95.63 13.97 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.597 -0.149 . . . . 0.0 110.597 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.591 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 94.0 Cg_endo -86.97 166.09 8.49 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.58 2.187 . . . . 0.0 112.984 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' C' ' 608' ' ' ALA . 0.2 OUTLIER -159.43 138.44 11.05 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.068 0.461 . . . . 0.0 111.404 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.47 60.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.599 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.448 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.8 OUTLIER -91.24 -63.95 0.18 Allowed Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.961 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.538 ' CD ' ' HB2' ' C' ' 604' ' ' SER . 67.6 Cg_endo -75.23 121.99 6.82 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.453 2.102 . . . . 0.0 112.385 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.24 116.75 31.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.398 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.696 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -156.7 170.37 22.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.323 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.547 ' HB2' ' CD ' ' B' ' 601' ' ' PRO . 0.9 OUTLIER -53.06 -31.89 44.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -37.89 70.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -33.04 73.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.035 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' B' ' 596' ' ' LYS . . . -62.71 -37.96 88.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -63.46 -41.04 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.419 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.39 -37.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.53 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.71 -51.14 70.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.739 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.569 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 0.5 OUTLIER -54.95 -45.99 74.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.501 179.383 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' B' ' 613' ' ' ARG . 4.5 mt -61.38 -38.27 86.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.097 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.776 ' HA ' HD21 ' C' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.89 85.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.04 88.13 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.646 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.42 -35.64 79.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.999 0.428 . . . . 0.0 111.17 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.732 HG21 HD22 ' C' ' 612' ' ' LEU . 93.3 t -66.53 -47.96 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.6 -41.59 98.3 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.34 -28.48 66.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.856 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -63.56 -40.67 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.046 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.623 ' HE ' ' HG ' ' C' ' 619' ' ' LEU . 0.4 OUTLIER -63.21 -38.14 89.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.89 72.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 619' ' ' LEU . 59.0 mt -63.13 -48.18 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.591 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.612 HD11 HD23 ' C' ' 619' ' ' LEU . 2.3 mt -64.0 -37.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.248 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.82 -44.93 88.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 39.1 p -68.76 -48.24 64.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.981 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.426 ' SD ' HG22 ' B' ' 623' ' ' ILE . 3.0 mtt -57.67 -39.72 77.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.92 -36.27 81.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.068 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.18 -43.39 70.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.808 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -33.26 74.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -40.81 97.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.977 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.508 ' HB3' HG21 ' B' ' 634' ' ' ILE . 5.6 mm-40 -63.79 -47.4 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.044 0.449 . . . . 0.0 111.89 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' C' ' 633' ' ' GLU . 9.9 mt -57.21 -47.1 84.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.113 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.402 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.26 -35.47 79.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.521 HD21 ' HG ' ' B' ' 638' ' ' LEU . 2.2 mt -68.99 -42.39 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.744 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.519 ' HG ' HD21 ' C' ' 637' ' ' LEU . 1.2 mt -61.28 -42.6 98.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.2 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.59 -37.5 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.753 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -46.49 88.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -61.97 -40.68 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.739 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' A' ' 646' ' ' LYS . 0.1 OUTLIER -59.23 -45.56 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.49 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 647' ' ' ILE . 1.3 tt0 -62.53 -37.98 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.216 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.95 92.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.52 -35.47 81.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.574 ' HE2' ' HA ' ' A' ' 643' ' ' GLU . 10.2 mtmm -63.06 -57.78 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.275 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 643' ' ' GLU . 2.9 mp -62.29 -34.59 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 0.0 111.157 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -44.0 85.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.033 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.88 91.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.713 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.86 -29.39 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.699 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.639 HD22 HD22 ' B' ' 651' ' ' LEU . 0.3 OUTLIER -64.47 -48.67 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -37.74 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mtt -64.93 -36.66 85.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.265 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.416 ' HB3' HG11 ' B' ' 655' ' ' VAL . 7.0 tt0 -66.29 -47.36 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.511 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.5 t -59.83 -38.62 77.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.203 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -69.82 -37.44 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.54 -49.33 73.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.727 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' B' ' 659' ' ' LYS . 16.3 tt -67.23 -32.55 58.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.662 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' C' ' 658' ' ' ILE . 2.6 tptt -60.79 -49.6 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.861 0.362 . . . . 0.0 111.088 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.54 -42.35 78.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.43 75.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.387 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.485 HD12 HD12 ' B' ' 662' ' ' LEU . 0.8 OUTLIER -69.98 -35.87 74.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -86.8 -16.69 35.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -51.49 24.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.058 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.696 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -126.1 63.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.641 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.78 128.7 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.611 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -73.45 125.12 27.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.736 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.569 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 97.82 -12.12 64.31 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.765 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.475 ' O ' ' HB1' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -107.34 95.68 14.07 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.609 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.2 Cg_endo -86.92 166.05 8.58 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.603 2.202 . . . . 0.0 112.999 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 608' ' ' ALA . 0.2 OUTLIER -159.37 138.43 11.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.037 0.446 . . . . 0.0 111.437 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.45 59.92 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.633 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.439 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.8 OUTLIER -91.16 -63.94 0.18 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.003 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.547 ' CD ' ' HB2' ' A' ' 604' ' ' SER . 67.2 Cg_endo -75.21 121.96 6.82 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.47 2.113 . . . . 0.0 112.398 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.23 116.75 31.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.368 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.695 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -156.69 170.34 22.64 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.326 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.546 ' HB2' ' CD ' ' C' ' 601' ' ' PRO . 0.9 OUTLIER -53.12 -31.89 44.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -38.01 70.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -32.97 72.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' C' ' 596' ' ' LYS . . . -62.75 -37.97 88.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -63.36 -41.16 98.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.417 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.32 -37.66 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.569 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.58 -51.18 70.49 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.183 0.516 . . . . 0.0 111.771 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.573 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 0.5 OUTLIER -55.05 -45.88 75.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.485 179.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' C' ' 613' ' ' ARG . 4.5 mt -61.4 -38.27 86.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.796 0.331 . . . . 0.0 111.087 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.773 ' HA ' HD21 ' A' ' 612' ' ' LEU . 20.1 ttm180 -59.56 -39.83 85.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -44.96 88.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.617 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.46 -35.57 79.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.718 HG21 HD22 ' A' ' 612' ' ' LEU . 93.8 t -66.57 -47.91 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.74 -41.5 98.02 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.331 -179.736 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.28 -28.52 66.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -63.67 -40.57 97.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.597 ' HE ' ' HG ' ' A' ' 619' ' ' LEU . 0.4 OUTLIER -63.2 -38.16 90.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.93 72.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' B' ' 619' ' ' LEU . 59.1 mt -63.1 -48.17 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.584 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.599 HD11 HD23 ' A' ' 619' ' ' LEU . 2.3 mt -64.02 -37.83 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.159 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.79 -45.0 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 39.0 p -68.7 -48.32 64.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.968 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.424 ' SD ' HG22 ' C' ' 623' ' ' ILE . 3.0 mtt -57.53 -39.84 77.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' B' ' 623' ' ' ILE . 0.0 OUTLIER -67.22 -34.33 77.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.092 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.98 -36.24 81.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.078 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.16 -43.34 71.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -33.29 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.8 97.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.998 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' C' ' 634' ' ' ILE . 5.5 mm-40 -63.83 -47.32 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 633' ' ' GLU . 9.8 mt -57.25 -47.08 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.138 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.402 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.18 -35.49 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' C' ' 638' ' ' LEU . 2.2 mt -69.01 -42.34 76.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.521 ' HG ' HD21 ' A' ' 637' ' ' LEU . 1.2 mt -61.27 -42.71 99.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.107 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.4 -37.62 87.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -46.44 89.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.03 -40.68 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.766 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' B' ' 646' ' ' LYS . 0.1 OUTLIER -59.22 -45.55 90.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.507 -179.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.591 ' O ' HD12 ' B' ' 647' ' ' ILE . 1.3 tt0 -62.47 -38.04 88.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.264 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -39.0 92.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -64.58 -35.38 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.7 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' B' ' 643' ' ' GLU . 10.2 mtmm -63.25 -57.68 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.591 HD12 ' O ' ' B' ' 643' ' ' GLU . 2.9 mp -62.25 -34.67 65.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.969 0.414 . . . . 0.0 111.156 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -43.98 85.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.89 91.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -63.87 -29.43 70.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.639 HD22 HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.38 -48.71 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.756 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -37.84 76.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.18 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.4 mtt -64.86 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.335 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.404 ' HB3' HG11 ' C' ' 655' ' ' VAL . 7.0 tt0 -66.35 -47.31 73.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.493 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.6 t -59.91 -38.54 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -69.95 -37.39 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.56 -49.19 74.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' C' ' 659' ' ' LYS . 16.3 tt -67.36 -32.48 57.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.66 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 658' ' ' ILE . 2.6 tptt -60.85 -49.57 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.55 -42.32 78.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.956 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.54 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.377 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.485 HD12 HD12 ' A' ' 662' ' ' LEU . 0.8 OUTLIER -70.05 -35.85 74.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -86.87 -16.58 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -51.39 25.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.695 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -126.14 63.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.936 0.398 . . . . 0.0 110.681 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.79 128.62 41.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.611 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -73.43 125.13 27.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.739 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.573 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 97.82 -12.16 64.29 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.781 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.473 ' O ' ' HB1' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -107.29 95.65 13.86 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 92.5 Cg_endo -86.92 166.01 8.58 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.594 2.196 . . . . 0.0 112.995 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' B' ' 608' ' ' ALA . 0.2 OUTLIER -159.32 138.45 11.19 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.987 0.423 . . . . 0.0 111.44 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.44 59.9 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.647 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.449 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.8 OUTLIER -91.17 -63.95 0.18 Allowed Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.975 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' B' ' 604' ' ' SER . 67.3 Cg_endo -75.24 122.04 6.86 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.459 2.106 . . . . 0.0 112.392 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.28 116.76 31.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.361 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.709 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -156.76 170.34 22.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.334 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.538 ' HB2' ' CD ' ' A' ' 601' ' ' PRO . 0.9 OUTLIER -53.04 -31.93 44.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.247 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -37.91 70.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -33.0 73.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 596' ' ' LYS . . . -62.73 -37.97 88.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -63.35 -41.16 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.471 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.36 -37.56 80.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.549 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.66 -51.12 70.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 111.738 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.575 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 0.5 OUTLIER -55.03 -45.97 75.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.484 179.432 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' A' ' 613' ' ' ARG . 4.5 mt -61.35 -38.35 86.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.089 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.799 ' HA ' HD21 ' B' ' 612' ' ' LEU . 20.1 ttm180 -59.48 -39.88 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.031 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -45.05 87.97 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.619 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.41 -35.63 79.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.03 0.443 . . . . 0.0 111.171 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.719 HG21 HD22 ' B' ' 612' ' ' LEU . 93.2 t -66.61 -47.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -41.56 98.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.36 -28.44 66.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.872 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -63.62 -40.69 97.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.615 ' HE ' ' HG ' ' B' ' 619' ' ' LEU . 0.4 OUTLIER -63.08 -38.26 90.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -31.93 72.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' C' ' 619' ' ' LEU . 59.0 mt -63.16 -48.11 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.615 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.612 HD11 HD23 ' B' ' 619' ' ' LEU . 2.3 mt -64.0 -37.81 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.22 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -64.8 -44.92 88.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.257 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 38.8 p -68.77 -48.29 64.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.423 ' SD ' HG22 ' C' ' 622' ' ' ILE . 3.0 mtt -57.57 -39.8 77.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.0 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -66.9 -36.27 81.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -70.19 -43.36 70.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -33.26 74.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -42.92 93.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.013 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.506 ' HB3' HG21 ' A' ' 634' ' ' ILE . 5.5 mm-40 -63.91 -47.27 81.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 0.0 111.872 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' B' ' 633' ' ' GLU . 9.9 mt -57.31 -47.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.07 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -43.47 98.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.467 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -62.21 -35.46 78.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.931 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.519 HD21 ' HG ' ' A' ' 638' ' ' LEU . 2.2 mt -69.05 -42.4 76.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.711 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.504 ' HG ' HD21 ' B' ' 637' ' ' LEU . 1.2 mt -61.26 -42.67 99.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.163 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 5.5 p -63.47 -37.51 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -46.51 88.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.558 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.02 -40.53 96.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.772 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' C' ' 646' ' ' LYS . 0.1 OUTLIER -59.38 -45.5 91.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.476 -179.343 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.59 ' O ' HD12 ' C' ' 647' ' ' ILE . 1.3 tt0 -62.56 -37.97 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.205 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.96 92.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -64.49 -35.47 81.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.779 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' C' ' 643' ' ' GLU . 10.2 mtmm -63.26 -57.62 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.59 HD12 ' O ' ' C' ' 643' ' ' GLU . 2.9 mp -62.26 -34.71 65.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -43.96 85.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.1 -42.83 91.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -63.95 -29.35 70.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -64.46 -48.68 74.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.758 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -37.76 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.162 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.5 mtt -64.9 -36.7 85.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.404 ' HB3' HG11 ' A' ' 655' ' ' VAL . 7.0 tt0 -66.26 -47.39 73.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.507 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.6 t -59.86 -38.56 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.193 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -69.83 -37.48 76.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.48 -49.26 74.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 659' ' ' LYS . 16.3 tt -67.34 -32.5 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.531 ' HA ' HD12 ' B' ' 658' ' ' ILE . 2.6 tptt -60.88 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -56.48 -42.47 78.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.44 75.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.337 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.482 HD12 HD12 ' B' ' 662' ' ' LEU . 0.8 OUTLIER -69.97 -35.97 74.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -86.81 -16.67 35.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -51.53 24.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.992 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -129.01 21.57 5.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.989 0.423 . . . . 0.0 110.698 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.21 123.61 47.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.565 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.561 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 6.7 mm-40 -69.96 143.14 52.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.728 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 83.61 -4.07 83.16 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.738 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 92.73 42.64 Favored Pre-proline 0 CA--C 1.531 0.238 0 O-C-N 122.972 -0.134 . . . . 0.0 110.684 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.406 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.8 Cg_endo -86.21 161.91 9.95 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.594 2.196 . . . . 0.0 112.992 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.573 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 5.0 mtpt -158.9 127.38 5.25 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.029 0.442 . . . . 0.0 111.518 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.49 94.22 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.543 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.3 OUTLIER -123.26 -65.8 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.026 179.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.543 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.4 Cg_endo -72.89 127.29 12.08 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.433 2.088 . . . . 0.0 112.413 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.96 124.61 44.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.394 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.725 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -158.8 166.44 31.93 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.4 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.414 ' HA ' ' HE2' ' B' ' 598' ' ' LYS . 0.5 OUTLIER -52.69 -44.49 66.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -38.34 84.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.862 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.67 -35.65 81.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -60.66 -34.73 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.73 81.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.428 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.86 -31.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 0.8 OUTLIER -62.28 -48.2 80.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.143 0.497 . . . . 0.0 111.743 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -60.18 -39.51 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' B' ' 613' ' ' ARG . 3.0 mt -64.34 -37.52 87.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.081 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.651 ' HA ' HD21 ' C' ' 612' ' ' LEU . 10.8 ttm180 -64.4 -37.04 86.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.997 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.52 69.03 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.7 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.438 ' HG2' ' CG1' ' B' ' 616' ' ' VAL . 3.0 tt0 -63.73 -38.38 90.88 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 111.189 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 612' ' ' LEU . 75.8 t -66.66 -45.22 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -49.98 75.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.366 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.638 ' O ' HG13 ' A' ' 622' ' ' ILE . 3.1 mt-10 -65.48 -29.26 69.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.551 ' HB3' HD21 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -61.07 -50.2 74.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.01 76.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.986 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.605 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 618' ' ' GLU . 96.8 mt -62.43 -49.55 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.631 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.529 HG22 ' SD ' ' C' ' 626' ' ' MET . 5.4 mt -62.52 -35.3 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.41 -45.73 75.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.0 p -68.32 -43.09 78.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.57 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 54.3 mtt -65.3 -36.21 83.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.571 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.19 99.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.64 -34.21 76.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.05 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.55 -46.75 75.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.452 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.0 OUTLIER -66.56 -36.6 83.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.585 ' HA ' HD12 ' A' ' 634' ' ' ILE . 2.5 mmpt? -65.42 -41.53 93.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.06 93.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.992 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.596 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.3 mm-40 -62.46 -39.69 94.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 111.823 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.597 HG21 ' HB3' ' C' ' 633' ' ' GLU . 32.4 mt -62.66 -40.57 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.058 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.489 ' HE3' ' N ' ' A' ' 635' ' ' LYS . 0.0 OUTLIER -61.58 -41.43 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 -179.494 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.46 -38.19 90.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.005 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' B' ' 638' ' ' LEU . 14.2 mt -67.95 -41.84 81.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.577 ' HG ' HD21 ' C' ' 637' ' ' LEU . 4.3 mt -63.1 -41.95 99.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.91 93.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -40.37 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.023 0.44 . . . . 0.0 110.908 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.503 ' HA ' HD21 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -66.78 -42.92 85.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.807 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -40.15 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.414 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.12 -32.46 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.275 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.682 ' HG2' ' HD3' ' B' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.74 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.879 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.669 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 3.6 mmtt -71.03 -37.86 72.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.694 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 650' ' ' ARG . 10.2 mtmm -64.2 -50.05 69.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.0 mt -64.16 -38.94 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 121.04 0.448 . . . . 0.0 111.16 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.615 ' HD3' ' HA ' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.8 -45.88 92.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -41.53 80.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 646' ' ' LYS . 2.5 mtm-85 -60.86 -33.69 73.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.702 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.2 OUTLIER -63.46 -49.21 74.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.512 ' HG3' ' HG ' ' C' ' 651' ' ' LEU . 0.2 OUTLIER -61.75 -39.04 90.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.163 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.78 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.304 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.28 -43.84 96.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.52 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 651' ' ' LEU . 46.2 t -57.49 -46.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.4 ' O ' ' HD2' ' A' ' 660' ' ' LYS . 8.5 m120 -63.31 -29.22 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.6 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.774 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.639 ' CG1' HD13 ' B' ' 662' ' ' LEU . 5.6 tt -64.51 -26.82 41.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.656 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.539 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 5.4 tptt -69.1 -40.74 78.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 656' ' ' ASN . 0.1 OUTLIER -62.32 -41.62 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.932 179.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.81 69.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.303 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.79 85.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -83.58 -20.55 33.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.17 -56.31 9.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.725 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -128.97 21.53 5.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 110.69 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.22 123.62 47.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.569 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.57 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 6.8 mm-40 -70.02 143.19 52.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.716 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 83.61 -4.08 83.13 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.788 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.85 92.66 42.27 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.658 -0.127 . . . . 0.0 110.658 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.417 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 92.8 Cg_endo -86.24 161.97 9.91 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.566 2.178 . . . . 0.0 113.012 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 5.0 mtpt -158.98 127.4 5.21 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.084 0.468 . . . . 0.0 111.465 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.5 94.28 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.556 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.3 OUTLIER -123.3 -65.86 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.972 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.556 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.8 Cg_endo -72.85 127.35 12.16 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.426 2.084 . . . . 0.0 112.399 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -99.08 124.59 44.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.403 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -158.84 166.46 31.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.369 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.425 ' HA ' ' HE2' ' C' ' 598' ' ' LYS . 0.5 OUTLIER -52.67 -44.5 66.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.267 -179.691 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -38.45 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.54 -35.7 81.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -60.65 -34.64 74.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.8 82.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.85 -31.63 51.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.574 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 0.8 OUTLIER -62.31 -48.07 81.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.159 0.504 . . . . 0.0 111.839 179.562 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.425 ' HB3' HH22 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -60.32 -39.47 87.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 179.414 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.634 HD21 ' HA ' ' C' ' 613' ' ' ARG . 3.0 mt -64.26 -37.54 87.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.647 ' HA ' HD21 ' A' ' 612' ' ' LEU . 10.8 ttm180 -64.4 -37.03 86.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -48.56 68.9 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.634 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.441 ' HG2' ' CG1' ' C' ' 616' ' ' VAL . 3.0 tt0 -63.74 -38.43 91.09 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 612' ' ' LEU . 75.5 t -66.63 -45.11 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -50.01 75.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.313 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.633 ' O ' HG13 ' B' ' 622' ' ' ILE . 3.1 mt-10 -65.43 -29.29 69.96 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.945 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -61.14 -50.11 74.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -39.02 76.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 28.9 t -67.49 -32.89 74.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 618' ' ' GLU . 96.8 mt -62.45 -49.51 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.598 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.522 HG22 ' SD ' ' A' ' 626' ' ' MET . 5.5 mt -62.54 -35.44 70.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.164 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.29 -45.78 75.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 111.252 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 14.9 p -68.26 -43.11 78.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.999 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.573 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 54.2 mtt -65.21 -36.21 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.57 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.0 OUTLIER -62.73 -43.29 99.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.63 -34.16 76.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.56 -46.77 74.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.804 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.46 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.0 OUTLIER -66.57 -36.63 83.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' B' ' 634' ' ' ILE . 2.5 mmpt? -65.46 -41.44 93.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -42.07 93.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.964 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.589 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.3 mm-40 -62.42 -39.66 94.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.075 0.464 . . . . 0.0 111.881 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.596 HG21 ' HB3' ' A' ' 633' ' ' GLU . 32.9 mt -62.77 -40.57 89.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 -179.551 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.574 HD21 ' HG ' ' C' ' 638' ' ' LEU . 14.2 mt -67.9 -41.81 82.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.73 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.548 ' HG ' HD21 ' A' ' 637' ' ' LEU . 4.3 mt -63.17 -41.93 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -43.96 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.752 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -40.38 95.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 641' ' ' LEU . 1.0 OUTLIER -66.84 -42.88 85.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.777 179.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.44 -40.15 95.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.494 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.15 -32.47 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.226 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.679 ' HG2' ' HD3' ' C' ' 645' ' ' LYS . 0.0 OUTLIER -70.67 -32.72 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.893 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.682 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 3.6 mmtt -71.01 -37.79 72.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' B' ' 650' ' ' ARG . 10.2 mtmm -64.27 -50.06 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.16 -38.93 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 111.187 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.619 ' HA ' ' HD3' ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.73 -45.98 92.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.018 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -41.59 80.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' B' ' 646' ' ' LYS . 2.5 mtm-85 -60.89 -33.71 73.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.649 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.2 OUTLIER -63.42 -49.21 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.498 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 0.2 OUTLIER -61.76 -39.02 90.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.166 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.76 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.353 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.27 -43.75 97.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.531 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.649 HG23 ' O ' ' B' ' 651' ' ' LEU . 46.4 t -57.63 -46.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.35 -29.12 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -54.51 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.647 ' CG1' HD13 ' C' ' 662' ' ' LEU . 5.6 tt -64.42 -26.9 41.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.663 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.55 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 5.4 tptt -69.06 -40.77 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -41.66 98.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.78 69.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' C' ' 662' ' ' LEU . 0.3 OUTLIER -66.7 -37.8 85.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.64 -20.56 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.15 -56.36 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -128.99 21.58 5.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.379 . . . . 0.0 110.655 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.22 123.63 47.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.588 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 6.8 mm-40 -70.01 143.18 52.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.681 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 83.56 -4.05 83.13 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.765 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 92.72 42.59 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.424 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 91.3 Cg_endo -86.15 161.88 10.04 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.631 2.22 . . . . 0.0 113.027 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.587 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 5.0 mtpt -158.94 127.42 5.24 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.087 0.47 . . . . 0.0 111.484 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.45 94.22 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.545 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.559 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.3 OUTLIER -123.31 -65.81 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.989 179.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.559 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.7 Cg_endo -72.85 127.32 12.14 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.413 2.076 . . . . 0.0 112.405 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -98.99 124.59 44.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.383 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.732 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -158.84 166.46 31.85 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.347 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.418 ' HA ' ' HE2' ' A' ' 598' ' ' LYS . 0.5 OUTLIER -52.73 -44.48 66.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -38.39 84.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -64.61 -35.65 81.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -60.63 -34.75 74.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.779 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.61 -35.76 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.394 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.406 ' H ' HG23 ' C' ' 609' ' ' VAL . 2.1 t -68.85 -31.59 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.561 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 0.8 OUTLIER -62.38 -48.12 81.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.153 0.502 . . . . 0.0 111.784 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.423 ' HB3' HH22 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.5 179.416 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.651 HD21 ' HA ' ' A' ' 613' ' ' ARG . 3.0 mt -64.3 -37.49 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 111.126 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.634 ' HA ' HD21 ' B' ' 612' ' ' LEU . 10.8 ttm180 -64.43 -37.06 86.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -48.62 68.78 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.596 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.442 ' HG2' ' CG1' ' A' ' 616' ' ' VAL . 3.0 tt0 -63.66 -38.38 90.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.992 0.425 . . . . 0.0 111.186 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.579 HG23 ' O ' ' C' ' 612' ' ' LEU . 75.1 t -66.65 -45.19 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -50.01 75.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.276 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.645 ' O ' HG13 ' C' ' 622' ' ' ILE . 3.1 mt-10 -65.49 -29.31 69.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.555 ' HB3' HD21 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -61.11 -50.22 74.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -39.07 76.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 29.0 t -67.47 -32.88 74.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.645 HG13 ' O ' ' C' ' 618' ' ' GLU . 96.8 mt -62.45 -49.48 83.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.645 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.528 HG22 ' SD ' ' B' ' 626' ' ' MET . 5.5 mt -62.63 -35.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.195 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.39 -45.76 75.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.191 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 14.8 p -68.28 -43.13 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.571 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 54.2 mtt -65.19 -36.19 83.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.573 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 0.0 OUTLIER -62.82 -43.36 99.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -67.45 -34.21 76.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -66.63 -46.69 74.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.45 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.0 OUTLIER -66.58 -36.66 83.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' C' ' 634' ' ' ILE . 2.5 mmpt? -65.34 -41.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -41.98 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.018 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.3 mm-40 -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.84 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' B' ' 633' ' ' GLU . 32.4 mt -62.65 -40.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.127 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.486 ' N ' ' HE3' ' C' ' 635' ' ' LYS . 0.0 OUTLIER -61.6 -41.45 97.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.473 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.4 -38.27 90.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.0 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.577 HD21 ' HG ' ' A' ' 638' ' ' LEU . 14.2 mt -67.94 -41.8 81.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.754 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.574 ' HG ' HD21 ' B' ' 637' ' ' LEU . 4.3 mt -63.19 -41.91 99.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -43.85 93.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -40.28 95.42 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.497 ' HA ' HD21 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -66.85 -42.93 84.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.788 179.54 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -40.05 95.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.567 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.22 -32.53 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.186 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.669 ' HG2' ' HD3' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -70.65 -32.73 70.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.679 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 3.6 mmtt -70.95 -37.87 72.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' C' ' 650' ' ' ARG . 10.2 mtmm -64.23 -50.1 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.08 -39.04 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.022 0.439 . . . . 0.0 111.201 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.619 ' HD3' ' HA ' ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.72 -45.88 92.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -41.62 80.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.775 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' C' ' 646' ' ' LYS . 2.5 mtm-85 -60.85 -33.83 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.645 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.2 OUTLIER -63.3 -49.27 74.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.785 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.504 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 0.2 OUTLIER -61.69 -39.08 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.202 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.3 mmt -61.73 -43.6 98.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.24 -43.83 96.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.547 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.645 HG23 ' O ' ' C' ' 651' ' ' LEU . 46.2 t -57.52 -46.72 86.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' C' ' 660' ' ' LYS . 8.5 m120 -63.27 -29.22 70.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -54.65 13.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.752 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.63 ' CG1' HD13 ' A' ' 662' ' ' LEU . 5.6 tt -64.49 -26.76 41.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.656 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.548 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 5.4 tptt -69.17 -40.71 77.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' C' ' 656' ' ' ASN . 0.1 OUTLIER -62.28 -41.71 98.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.8 69.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.298 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.722 ' CD1' HD12 ' B' ' 662' ' ' LEU . 0.3 OUTLIER -66.71 -37.82 85.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -83.54 -20.62 33.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 6.0 m -68.11 -56.42 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.449 ' CA ' HG23 ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -78.6 134.06 37.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.911 0.386 . . . . 0.0 110.656 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.495 ' HG3' ' OG1' ' B' ' 625' ' ' THR . 1.8 mtp -130.75 134.47 46.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.553 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.82 -35.14 78.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.58 0.229 . . . . 0.0 110.696 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 101.28 -6.86 56.2 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.76 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.567 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 0.9 OUTLIER 51.42 70.38 2.0 Allowed Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -84.31 -19.43 4.54 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.589 2.193 . . . . 0.0 112.994 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.09 41.75 2.04 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.021 0.439 . . . . 0.0 111.4 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.665 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -64.27 -25.37 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.557 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -79.0 142.34 59.82 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.98 164.27 34.87 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.399 2.066 . . . . 0.0 112.418 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 608' ' ' ALA . . . -73.73 152.65 40.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.378 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.36 92.42 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.373 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.557 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 43.2 m -82.96 154.07 24.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -44.7 26.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.879 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.99 -43.02 72.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 604' ' ' SER . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.856 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -62.02 -40.37 95.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.424 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.849 HG11 ' HB1' ' C' ' 608' ' ' ALA . 51.6 t -72.9 -34.0 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.57 63.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 111.769 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.27 -39.01 93.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.506 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.5 OUTLIER -67.42 -41.92 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.063 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.516 ' HA ' HD11 ' C' ' 612' ' ' LEU . 3.9 tpp180 -62.29 -41.12 98.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.027 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 38.6 p -67.31 -37.41 83.31 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.475 ' HB3' HG11 ' B' ' 616' ' ' VAL . 1.7 mt-30 -69.44 -41.15 76.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 111.107 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 612' ' ' LEU . 45.8 t -71.08 -40.03 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.648 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.0 OUTLIER -61.78 -49.11 77.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.284 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.456 ' O ' HG13 ' A' ' 622' ' ' ILE . 2.6 mm-40 -64.65 -42.01 95.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' A' ' 622' ' ' ILE . 5.7 tp -59.38 -41.22 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -59.14 -41.63 88.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.76 -34.81 78.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.599 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 619' ' ' LEU . 31.2 mt -69.68 -31.49 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.584 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.775 HD11 HD11 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -67.98 -49.17 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.242 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -61.76 -43.56 98.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 34.9 m -67.84 -40.81 83.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.011 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.586 ' HG3' ' HG3' ' B' ' 627' ' ' LYS . 14.3 ttm -68.2 -38.38 81.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.602 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 9.1 tttt -65.4 -48.69 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -32.81 71.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.076 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 625' ' ' THR . 1.9 mt-30 -65.14 -43.13 92.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.558 ' HG2' ' N ' ' A' ' 631' ' ' LYS . 0.4 OUTLIER -67.8 -36.74 80.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.595 ' O ' HG13 ' A' ' 634' ' ' ILE . 10.5 mttm -68.23 -39.02 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.32 -41.85 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.935 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.41 -51.63 64.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.129 0.49 . . . . 0.0 111.89 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.3 pp -61.58 -36.19 71.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.15 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.507 ' HA ' HD12 ' A' ' 638' ' ' LEU . 2.2 tppp? -62.69 -42.63 99.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.411 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -42.02 91.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.016 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.667 HD23 HD12 ' B' ' 641' ' ' LEU . 1.8 mt -62.06 -41.11 97.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 635' ' ' LYS . 9.7 mt -62.5 -38.83 91.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.462 ' HB3' HD13 ' B' ' 641' ' ' LEU . 7.1 tt0 -65.06 -44.02 90.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.848 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.661 HD12 HD23 ' C' ' 637' ' ' LEU . 0.4 OUTLIER -60.66 -37.0 80.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.799 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -38.3 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.578 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.3 -45.45 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.252 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.619 ' HG3' ' HD3' ' B' ' 645' ' ' LYS . 3.2 tt0 -68.38 -22.55 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.941 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.62 ' HD3' ' HG3' ' C' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.28 3.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.716 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.62 -44.38 85.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.539 HD12 HH12 ' A' ' 650' ' ' ARG . 0.5 OUTLIER -64.16 -38.9 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.062 0.458 . . . . 0.0 111.241 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.613 HH12 HD12 ' A' ' 649' ' ' LEU . 7.4 tmm_? -64.98 -41.56 95.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.613 HD12 HH12 ' A' ' 648' ' ' ARG . 0.2 OUTLIER -64.57 -41.41 96.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.539 HH12 HD12 ' A' ' 647' ' ' ILE . 0.4 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.737 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 655' ' ' VAL . 23.0 tp -66.35 -37.66 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.724 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.431 ' HG2' HD22 ' C' ' 651' ' ' LEU . 6.5 mm-40 -57.8 -44.2 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.186 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.29 -44.45 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.84 -47.96 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.489 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 651' ' ' LEU . 20.3 t -58.6 -37.86 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.101 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -45.14 93.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.746 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.749 HG23 HD22 ' B' ' 662' ' ' LEU . 1.3 mt -69.14 -32.28 53.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.642 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.622 ' HD2' HE21 ' A' ' 663' ' ' GLN . 0.5 OUTLIER -68.31 -49.44 60.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.4 93.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.81 76.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.345 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.771 HD22 HG23 ' C' ' 658' ' ' ILE . 0.3 OUTLIER -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.539 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . 0.622 HE21 ' HD2' ' A' ' 659' ' ' LYS . 5.3 mt-30 -82.87 -19.8 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -54.18 7.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.44 ' HA2' HG23 ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -78.58 134.01 37.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.649 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . 0.493 ' HG3' ' OG1' ' C' ' 625' ' ' THR . 1.8 mtp -130.78 134.45 46.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.567 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.71 -35.18 78.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.76 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 101.26 -6.83 56.24 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.779 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.584 ' HA ' ' HD3' ' C' ' 617' ' ' ARG . 0.9 OUTLIER 51.37 70.35 2.02 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 110.621 -0.14 . . . . 0.0 110.621 179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -84.29 -19.4 4.57 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.596 2.197 . . . . 0.0 113.063 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.14 41.71 2.06 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.059 0.457 . . . . 0.0 111.412 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.646 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -64.17 -25.47 68.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.616 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.95 142.26 59.97 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.963 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.97 164.33 34.77 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.409 2.073 . . . . 0.0 112.395 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' B' ' 608' ' ' ALA . . . -73.88 152.77 40.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.307 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.44 91.9 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.309 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 43.1 m -82.85 154.08 24.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.9 -44.7 26.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.9 -43.14 72.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' B' ' 604' ' ' SER . . . -66.17 -34.95 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.852 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -62.02 -40.34 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.428 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.856 HG11 ' HB1' ' A' ' 608' ' ' ALA . 51.2 t -72.85 -34.1 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.617 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -62.38 -52.54 63.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 111.815 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.19 -39.06 93.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.626 ' O ' HG23 ' B' ' 616' ' ' VAL . 0.5 OUTLIER -67.44 -41.89 84.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 111.14 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.507 ' HA ' HD11 ' A' ' 612' ' ' LEU . 3.9 tpp180 -62.16 -41.31 98.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.43 83.68 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.694 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.476 ' HB3' HG11 ' C' ' 616' ' ' VAL . 1.7 mt-30 -69.4 -41.16 76.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.146 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 612' ' ' LEU . 45.9 t -71.1 -39.97 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.665 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -61.78 -49.14 77.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.299 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' B' ' 622' ' ' ILE . 2.7 mm-40 -64.59 -42.07 95.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.699 ' HA ' HD12 ' B' ' 622' ' ' ILE . 5.7 tp -59.37 -41.18 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -41.66 88.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.63 -34.92 78.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' B' ' 619' ' ' LEU . 31.3 mt -69.64 -31.52 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.556 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.771 HD11 HD11 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -67.99 -49.2 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.27 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.319 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 35.4 m -67.8 -40.83 83.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.032 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.594 ' HG3' ' HG3' ' C' ' 627' ' ' LYS . 14.3 ttm -68.15 -38.42 82.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.586 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 9.2 tttt -65.45 -48.7 71.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.052 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -32.91 71.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.065 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 625' ' ' THR . 1.9 mt-30 -65.16 -43.15 92.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.562 ' HG2' ' N ' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -67.85 -36.65 80.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.593 ' O ' HG13 ' B' ' 634' ' ' ILE . 10.4 mttm -68.19 -39.11 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -66.25 -41.82 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.978 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.53 -51.47 65.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.03 0.443 . . . . 0.0 111.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.593 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.3 pp -61.69 -36.21 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.079 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' B' ' 638' ' ' LEU . 2.2 tppp? -62.63 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.491 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -41.95 91.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.654 HD23 HD12 ' C' ' 641' ' ' LEU . 1.8 mt -62.07 -41.29 98.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 635' ' ' LYS . 9.8 mt -62.4 -38.82 91.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -46.84 83.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' C' ' 641' ' ' LEU . 7.1 tt0 -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.985 0.422 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.667 HD12 HD23 ' A' ' 637' ' ' LEU . 0.4 OUTLIER -60.72 -36.92 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.799 179.561 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -38.23 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.491 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.34 -45.41 91.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.241 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.61 ' HG3' ' HD3' ' C' ' 645' ' ' LYS . 3.2 tt0 -68.39 -22.63 64.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.619 ' HD3' ' HG3' ' A' ' 644' ' ' GLU . 2.8 mmtm -70.38 -58.31 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.723 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.57 -44.33 85.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.55 HD12 HH12 ' B' ' 650' ' ' ARG . 0.5 OUTLIER -64.2 -38.95 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.065 0.46 . . . . 0.0 111.186 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.626 HH12 HD12 ' B' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.048 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.626 HD12 HH12 ' B' ' 648' ' ' ARG . 0.2 OUTLIER -64.56 -41.37 96.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.55 HH12 HD12 ' B' ' 647' ' ' ILE . 0.4 OUTLIER -61.33 -42.06 98.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.805 ' O ' HG23 ' B' ' 655' ' ' VAL . 23.1 tp -66.39 -37.62 85.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.423 ' HG2' HD22 ' A' ' 651' ' ' LEU . 6.5 mm-40 -57.82 -44.28 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.141 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.16 -44.51 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.362 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -47.95 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.545 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.805 HG23 ' O ' ' B' ' 651' ' ' LEU . 20.0 t -58.58 -37.79 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 111.22 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.77 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -45.11 93.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.765 HG23 HD22 ' C' ' 662' ' ' LEU . 1.3 mt -69.07 -32.33 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.65 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.629 ' HD2' HE21 ' B' ' 663' ' ' GLN . 0.5 OUTLIER -68.24 -49.41 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 111.109 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -45.45 93.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.86 76.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.749 HD22 HG23 ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.467 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . 0.629 HE21 ' HD2' ' B' ' 659' ' ' LYS . 5.2 mt-30 -82.79 -19.84 36.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -54.18 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.451 ' CA ' HG23 ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -78.6 133.95 37.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 0.0 110.616 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . 0.486 ' HG3' ' OG1' ' A' ' 625' ' ' THR . 1.8 mtp -130.72 134.54 46.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.581 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.85 -35.12 78.01 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.712 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 101.34 -6.89 56.07 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.727 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.568 ' HA ' ' HD3' ' A' ' 617' ' ' ARG . 0.9 OUTLIER 51.38 70.41 1.98 Allowed Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -84.33 -19.43 4.52 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.578 2.185 . . . . 0.0 113.009 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.402 ' HG3' ' HE ' ' A' ' 617' ' ' ARG . 0.5 OUTLIER -113.02 41.63 2.05 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 111.409 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.648 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -64.2 -25.38 68.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.561 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -79.03 142.33 59.7 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.959 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.0 164.3 34.79 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.472 2.115 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' C' ' 608' ' ' ALA . . . -73.78 152.65 40.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.383 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.42 92.36 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.038 0.447 . . . . 0.0 111.395 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.569 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 43.4 m -82.96 154.06 24.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.177 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.87 -44.7 26.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.896 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.91 -43.11 72.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' C' ' 604' ' ' SER . . . -66.15 -34.94 79.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.849 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -62.03 -40.41 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.389 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.852 HG11 ' HB1' ' B' ' 608' ' ' ALA . 51.9 t -72.85 -34.12 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.39 -52.44 63.59 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.129 0.49 . . . . 0.0 111.783 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.23 -39.15 93.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.432 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.621 ' O ' HG23 ' C' ' 616' ' ' VAL . 0.5 OUTLIER -67.38 -41.88 84.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.505 ' HA ' HD11 ' B' ' 612' ' ' LEU . 3.9 tpp180 -62.21 -41.29 98.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 38.9 p -67.18 -37.44 83.71 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.69 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.489 ' HB3' HG11 ' A' ' 616' ' ' VAL . 1.7 mt-30 -69.41 -41.18 76.74 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.981 0.42 . . . . 0.0 111.145 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.621 HG23 ' O ' ' C' ' 612' ' ' LEU . 46.1 t -71.07 -40.05 75.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -61.73 -49.16 77.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.333 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.468 ' O ' HG13 ' C' ' 622' ' ' ILE . 2.6 mm-40 -64.59 -42.06 95.84 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' C' ' 622' ' ' ILE . 5.8 tp -59.37 -41.14 88.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.039 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -41.79 88.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 3.6 m -66.67 -34.78 78.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.602 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' C' ' 619' ' ' LEU . 31.1 mt -69.68 -31.53 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.775 HD11 HD11 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -67.94 -49.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.292 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -61.76 -43.54 98.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 35.0 m -67.82 -40.85 83.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.035 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.602 ' HG3' ' HG3' ' A' ' 627' ' ' LYS . 14.2 ttm -68.06 -38.45 82.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.594 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 9.1 tttt -65.44 -48.72 71.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -32.88 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' C' ' 625' ' ' THR . 1.9 mt-30 -65.1 -43.13 93.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.572 ' HG2' ' N ' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -67.83 -36.69 80.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.589 ' O ' HG13 ' C' ' 634' ' ' ILE . 10.4 mttm -68.18 -39.11 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -66.23 -41.82 89.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.008 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.49 -51.52 65.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.858 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.589 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.3 pp -61.64 -36.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.039 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' C' ' 638' ' ' LEU . 2.2 tppp? -62.52 -42.68 99.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.51 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.03 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.96 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 641' ' ' LEU . 1.8 mt -61.99 -41.23 97.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' C' ' 635' ' ' LYS . 9.7 mt -62.41 -38.87 91.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -46.84 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.777 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.464 ' HB3' HD13 ' A' ' 641' ' ' LEU . 7.1 tt0 -65.0 -43.93 90.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.654 HD12 HD23 ' B' ' 637' ' ' LEU . 0.4 OUTLIER -60.83 -36.89 80.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.769 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -38.17 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.47 -45.31 91.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.208 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.62 ' HG3' ' HD3' ' A' ' 645' ' ' LYS . 3.2 tt0 -68.48 -22.61 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.61 ' HD3' ' HG3' ' B' ' 644' ' ' GLU . 2.8 mmtm -70.36 -58.23 3.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -57.66 -44.38 85.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.55 HD12 HH12 ' C' ' 650' ' ' ARG . 0.5 OUTLIER -64.14 -39.0 83.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.168 -179.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.596 HH12 HD12 ' C' ' 649' ' ' LEU . 7.4 tmm_? -64.92 -41.49 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.596 HD12 HH12 ' C' ' 648' ' ' ARG . 0.2 OUTLIER -64.62 -41.37 96.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.735 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.55 HH12 HD12 ' C' ' 647' ' ' ILE . 0.4 OUTLIER -61.27 -42.1 98.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.724 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.795 ' O ' HG23 ' C' ' 655' ' ' VAL . 23.1 tp -66.43 -37.62 85.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.422 ' HG2' HD22 ' B' ' 651' ' ' LEU . 6.5 mm-40 -57.78 -44.23 86.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 10.1 mmt -63.23 -44.48 95.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.294 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -47.93 83.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.491 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.795 HG23 ' O ' ' C' ' 651' ' ' LEU . 20.0 t -58.59 -37.86 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.153 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.79 95.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -45.1 94.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.771 HG23 HD22 ' A' ' 662' ' ' LEU . 1.3 mt -69.11 -32.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.666 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.628 ' HD2' HE21 ' C' ' 663' ' ' GLN . 0.5 OUTLIER -68.23 -49.39 61.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 111.085 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.86 76.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.392 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.765 HD22 HG23 ' B' ' 658' ' ' ILE . 0.3 OUTLIER -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . 0.628 HE21 ' HD2' ' C' ' 659' ' ' LYS . 5.2 mt-30 -82.88 -19.86 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.798 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -54.16 7.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.501 ' HA3' ' NZ ' ' A' ' 596' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.65 80.03 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 0.0 110.663 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 3.2 ttp -156.22 134.51 11.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.631 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.97 125.83 26.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.753 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.09 -4.66 83.1 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.778 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.501 ' NZ ' ' HA3' ' A' ' 591' ' ' GLY . 0.0 OUTLIER -106.21 99.4 23.34 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 110.591 -0.151 . . . . 0.0 110.591 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.652 ' HB3' HH22 ' A' ' 613' ' ' ARG . 93.2 Cg_endo -86.03 171.27 8.06 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.57 2.18 . . . . 0.0 113.056 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' C' ' 604' ' ' SER . 0.0 OUTLIER -171.17 128.95 0.72 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.046 0.451 . . . . 0.0 111.407 -179.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 12.4 mtt -128.39 97.45 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.553 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 601' ' ' PRO . 0.0 OUTLIER -122.76 -69.41 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.954 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 600' ' ' GLU . 67.5 Cg_endo -75.22 136.04 19.45 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.471 2.114 . . . . 0.0 112.417 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -102.38 109.95 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.343 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -148.78 167.72 24.85 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.313 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.585 ' HB3' ' HG2' ' B' ' 598' ' ' LYS . 0.0 OUTLIER -53.59 -36.6 62.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 -179.657 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.451 ' HA ' HE21 ' B' ' 606' ' ' GLN . 19.0 t -63.62 -40.43 96.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.976 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 610' ' ' GLU . 1.3 mm-40 -71.26 -33.35 69.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -60.22 -41.45 93.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.1 84.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.432 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.83 -35.87 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 606' ' ' GLN . 3.9 mm-40 -62.7 -43.65 98.25 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.162 0.505 . . . . 0.0 111.75 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.486 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.2 OUTLIER -62.99 -42.49 99.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.921 HD21 ' HA ' ' B' ' 613' ' ' ARG . 5.4 mt -65.07 -35.8 82.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.111 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.933 ' HA ' HD21 ' C' ' 612' ' ' LEU . 18.3 ttm180 -64.82 -39.93 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -44.05 85.28 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.607 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.34 -41.42 80.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.177 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.561 HG21 HD22 ' C' ' 612' ' ' LEU . 40.0 t -59.71 -44.36 93.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.08 -43.63 98.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.317 -179.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.36 -35.3 80.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.772 HD23 HD11 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.93 -43.41 94.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.52 84.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -29.95 68.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.61 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.37 -49.02 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.768 HD11 HD23 ' C' ' 619' ' ' LEU . 1.9 mt -59.38 -43.88 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.84 -45.7 92.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.271 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.66 -42.73 98.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.674 ' SD ' HG22 ' B' ' 623' ' ' ILE . 19.1 mtt -63.8 -37.31 86.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.423 ' HD3' ' NE2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -69.63 -37.49 76.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.49 91.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -64.82 -50.43 66.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 634' ' ' ILE . 0.7 OUTLIER -63.55 -40.92 98.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.686 ' HZ3' HD13 ' A' ' 634' ' ' ILE . 0.2 OUTLIER -58.18 -44.57 88.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.978 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -36.89 83.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.065 0.46 . . . . 0.0 111.893 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.686 HD13 ' HZ3' ' A' ' 631' ' ' LYS . 5.6 mt -65.34 -35.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.105 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.425 ' HA ' HD12 ' A' ' 638' ' ' LEU . 9.3 mmtp -64.81 -43.0 94.57 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.417 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -64.73 -39.38 93.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -42.93 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 635' ' ' LYS . 8.3 mt -63.69 -44.69 92.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.169 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -40.22 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.781 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . 0.482 ' O ' ' HE2' ' A' ' 646' ' ' LYS . 0.8 OUTLIER -61.21 -36.74 80.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.544 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -40.28 83.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.289 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' B' ' 645' ' ' LYS . 0.4 OUTLIER -63.25 -37.32 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.87 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.576 ' HA ' ' OE2' ' C' ' 644' ' ' GLU . 10.6 mmtt -62.68 -50.67 70.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.482 ' HE2' ' O ' ' A' ' 642' ' ' ASP . 3.7 mtmm -56.19 -53.91 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 650' ' ' ARG . 7.5 mt -57.9 -40.77 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.063 0.459 . . . . 0.0 111.199 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' C' ' 647' ' ' ILE . 5.0 tmm_? -64.75 -36.22 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.01 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.67 -46.39 85.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.708 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.451 ' HD2' ' HA ' ' A' ' 647' ' ' ILE . 5.3 mtt180 -63.3 -31.32 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -62.34 -51.34 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.509 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.7 tt0 -59.34 -35.38 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.209 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.23 -43.92 93.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.343 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 658' ' ' ILE . 4.6 tt0 -62.47 -42.36 99.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 651' ' ' LEU . 28.3 t -63.59 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.58 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.59 64.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.757 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 659' ' ' LYS . 8.5 tt -65.21 -36.41 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.636 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' C' ' 658' ' ' ILE . 2.2 tptt -60.81 -43.51 98.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.814 0.34 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -45.17 89.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.64 81.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.331 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.484 ' HA ' ' HD3' ' A' ' 665' ' ' LYS . 0.0 OUTLIER -72.19 -29.14 63.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -28.06 38.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.4 m -75.44 -43.13 51.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.067 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.496 ' HA3' ' NZ ' ' B' ' 596' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.71 79.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.969 0.414 . . . . 0.0 110.673 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 3.2 ttp -156.23 134.59 11.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.54 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.04 125.9 26.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.718 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.09 -4.68 83.11 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.8 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.496 ' NZ ' ' HA3' ' B' ' 591' ' ' GLY . 0.0 OUTLIER -106.18 99.41 23.3 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 110.676 -0.12 . . . . 0.0 110.676 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.657 ' HB3' HH22 ' B' ' 613' ' ' ARG . 92.9 Cg_endo -86.03 171.29 8.07 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.546 2.164 . . . . 0.0 112.997 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.585 ' HG2' ' HB3' ' A' ' 604' ' ' SER . 0.0 OUTLIER -171.18 128.98 0.72 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.038 0.447 . . . . 0.0 111.417 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 12.4 mtt -128.39 97.39 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.595 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.547 ' CB ' ' CD ' ' B' ' 601' ' ' PRO . 0.0 OUTLIER -122.67 -69.37 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.25 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.994 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' B' ' 600' ' ' GLU . 67.0 Cg_endo -75.3 136.08 19.35 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.414 2.076 . . . . 0.0 112.398 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -102.33 110.01 21.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.338 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -148.82 167.66 25.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.569 ' HB3' ' HG2' ' C' ' 598' ' ' LYS . 0.0 OUTLIER -53.55 -36.52 61.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.451 ' HA ' HE21 ' C' ' 606' ' ' GLN . 18.8 t -63.73 -40.45 96.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.895 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' B' ' 610' ' ' GLU . 1.3 mm-40 -71.25 -33.24 69.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' C' ' 591' ' ' GLY . . . -60.29 -41.44 93.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.24 84.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.82 -35.88 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 606' ' ' GLN . 3.9 mm-40 -62.63 -43.65 98.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.253 0.549 . . . . 0.0 111.782 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.488 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.2 OUTLIER -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.447 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.953 HD21 ' HA ' ' C' ' 613' ' ' ARG . 5.4 mt -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.093 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.921 ' HA ' HD21 ' A' ' 612' ' ' LEU . 18.3 ttm180 -64.79 -40.02 94.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.06 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -44.05 85.71 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.671 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.29 -41.57 80.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.02 0.438 . . . . 0.0 111.163 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.552 HG21 HD22 ' A' ' 612' ' ' LEU . 40.1 t -59.64 -44.3 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.12 -43.59 97.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.311 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.39 -35.26 80.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.747 HD23 HD11 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -60.04 -43.32 95.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.603 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -58.84 -40.56 84.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -30.08 69.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 8.6 mt -65.23 -49.14 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.772 HD11 HD23 ' A' ' 619' ' ' LEU . 1.9 mt -59.25 -43.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.243 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.9 -45.74 92.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -42.78 98.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.984 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.665 ' SD ' HG22 ' C' ' 623' ' ' ILE . 19.2 mtt -63.72 -37.32 86.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.415 ' HD3' ' NE2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -69.53 -37.59 77.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.077 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.67 -39.45 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -64.77 -50.52 66.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.439 ' O ' HD12 ' B' ' 634' ' ' ILE . 0.7 OUTLIER -63.51 -40.91 98.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.693 ' HZ3' HD13 ' B' ' 634' ' ' ILE . 0.2 OUTLIER -58.06 -44.62 87.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.945 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -36.87 83.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 111.887 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.693 HD13 ' HZ3' ' B' ' 631' ' ' LYS . 5.6 mt -65.31 -35.51 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.057 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' B' ' 638' ' ' LEU . 9.3 mmtp -64.67 -43.12 94.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.58 -39.45 93.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.02 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.26 -43.0 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.718 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 635' ' ' LYS . 8.3 mt -63.61 -44.7 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -43.24 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.7 -43.5 97.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.787 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HE2' ' B' ' 646' ' ' LYS . 0.8 OUTLIER -61.13 -36.79 80.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.541 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -40.3 83.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.254 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.561 ' OE2' ' HA ' ' C' ' 645' ' ' LYS . 0.4 OUTLIER -63.18 -37.34 86.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.578 ' HA ' ' OE2' ' A' ' 644' ' ' GLU . 10.6 mmtt -62.72 -50.63 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' B' ' 642' ' ' ASP . 3.7 mtmm -56.34 -53.72 53.98 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.453 HG22 ' HD3' ' C' ' 648' ' ' ARG . 7.5 mt -57.9 -40.89 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 121.103 0.477 . . . . 0.0 111.202 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' A' ' 647' ' ' ILE . 5.0 tmm_? -64.6 -36.28 83.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.097 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.57 -46.47 85.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.733 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' B' ' 647' ' ' ILE . 5.3 mtt180 -63.27 -31.28 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.53 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -62.47 -51.29 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.503 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.7 tt0 -59.41 -35.3 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.152 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.32 -43.99 92.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.27 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.43 ' O ' HG22 ' B' ' 658' ' ' ILE . 4.6 tt0 -62.33 -42.43 99.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.533 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 651' ' ' LEU . 27.4 t -63.49 -38.89 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.006 0.431 . . . . 0.0 111.266 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -71.44 -34.35 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -50.58 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.705 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' C' ' 659' ' ' LYS . 8.5 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.637 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' ' 658' ' ' ILE . 2.2 tptt -60.68 -43.6 97.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.772 0.32 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -45.18 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.65 81.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.297 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' B' ' 665' ' ' LYS . 0.0 OUTLIER -72.14 -29.12 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -28.01 38.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.3 m -75.37 -43.18 51.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.503 ' HA3' ' NZ ' ' C' ' 596' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 80.08 1.77 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.922 0.391 . . . . 0.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 3.2 ttp -156.3 134.54 11.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.578 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.09 125.9 26.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.656 0.265 . . . . 0.0 110.692 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.11 -4.71 83.09 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.806 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.503 ' NZ ' ' HA3' ' C' ' 591' ' ' GLY . 0.0 OUTLIER -106.2 99.43 23.47 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.644 ' HB3' HH22 ' C' ' 613' ' ' ARG . 93.0 Cg_endo -86.09 171.27 8.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.555 2.17 . . . . 0.0 113.025 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' B' ' 604' ' ' SER . 0.0 OUTLIER -171.17 128.94 0.72 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.031 0.443 . . . . 0.0 111.398 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 12.4 mtt -128.37 97.45 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.554 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' C' ' 601' ' ' PRO . 0.0 OUTLIER -122.74 -69.38 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.012 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' C' ' 600' ' ' GLU . 67.8 Cg_endo -75.22 136.03 19.45 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.445 2.097 . . . . 0.0 112.376 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -102.32 110.07 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.411 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -148.84 167.62 25.17 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.353 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.569 ' HB3' ' HG2' ' A' ' 598' ' ' LYS . 0.0 OUTLIER -53.52 -36.58 61.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 -179.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.456 ' HA ' HE21 ' A' ' 606' ' ' GLN . 18.6 t -63.63 -40.48 96.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' C' ' 610' ' ' GLU . 1.3 mm-40 -71.27 -33.2 69.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -60.31 -41.44 93.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.11 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.85 -35.8 73.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' C' ' 606' ' ' GLN . 3.9 mm-40 -62.73 -43.63 98.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.483 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.2 OUTLIER -63.09 -42.43 99.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.398 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 613' ' ' ARG . 5.4 mt -65.09 -35.82 82.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.953 ' HA ' HD21 ' B' ' 612' ' ' LEU . 18.3 ttm180 -64.83 -39.91 94.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -44.08 85.2 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.598 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.27 -41.53 80.93 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.056 0.455 . . . . 0.0 111.135 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.563 HG21 HD22 ' B' ' 612' ' ' LEU . 39.8 t -59.79 -44.3 93.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.07 -43.6 98.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.339 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.34 -35.34 80.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.768 HD23 HD11 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.96 -43.35 95.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.015 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -58.88 -40.5 84.55 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -30.02 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.561 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 8.5 mt -65.3 -49.0 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.025 0.441 . . . . 0.0 111.612 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.747 HD11 HD23 ' B' ' 619' ' ' LEU . 1.9 mt -59.39 -43.96 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.196 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.83 -45.68 92.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 6.4 p -63.7 -42.74 97.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.662 ' SD ' HG22 ' A' ' 623' ' ' ILE . 19.2 mtt -63.76 -37.34 87.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.413 ' HD3' ' NE2' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -69.57 -37.49 77.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -65.76 -39.45 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.997 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -64.83 -50.49 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.758 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.436 ' O ' HD12 ' C' ' 634' ' ' ILE . 0.7 OUTLIER -63.48 -40.93 98.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.966 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.7 ' HZ3' HD13 ' C' ' 634' ' ' ILE . 0.2 OUTLIER -58.09 -44.63 87.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -36.84 83.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.851 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.7 HD13 ' HZ3' ' C' ' 631' ' ' LYS . 5.6 mt -65.38 -35.47 75.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.068 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' C' ' 638' ' ' LEU . 9.3 mmtp -64.66 -43.02 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.448 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.73 -39.49 93.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.22 -43.01 99.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.796 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' C' ' 635' ' ' LYS . 8.3 mt -63.58 -44.66 93.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.784 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.67 -43.54 97.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.993 0.425 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -40.18 96.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.752 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . 0.486 ' O ' ' HE2' ' C' ' 646' ' ' LYS . 0.8 OUTLIER -61.24 -36.76 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.488 -179.322 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.246 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 645' ' ' LYS . 0.4 OUTLIER -63.2 -37.33 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.561 ' HA ' ' OE2' ' B' ' 644' ' ' GLU . 10.6 mmtt -62.67 -50.64 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' C' ' 642' ' ' ASP . 3.7 mtmm -56.36 -53.69 54.42 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.267 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.449 HG22 ' HD3' ' A' ' 648' ' ' ARG . 7.5 mt -57.94 -40.9 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 121.04 0.448 . . . . 0.0 111.117 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.453 ' HD3' HG22 ' B' ' 647' ' ' ILE . 5.0 tmm_? -64.68 -36.21 83.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.018 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.64 -46.44 85.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' C' ' 650' ' ' ARG . 5.3 mtt180 -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.704 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.527 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -62.42 -51.31 68.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.496 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.7 tt0 -59.43 -35.32 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.255 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 1.2 mmt -64.22 -43.99 93.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.283 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.421 ' O ' HG22 ' C' ' 658' ' ' ILE . 4.6 tt0 -62.45 -42.33 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.527 HG23 ' O ' ' C' ' 651' ' ' LEU . 27.6 t -63.54 -38.85 83.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.57 -34.24 69.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -50.51 64.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 659' ' ' LYS . 8.5 tt -65.33 -36.32 77.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.681 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' B' ' 658' ' ' ILE . 2.2 tptt -60.72 -43.59 97.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.836 0.35 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.27 89.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.66 81.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.304 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 0.0 OUTLIER -72.16 -29.04 63.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -27.93 37.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.5 m -75.54 -42.98 51.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.591 -0.203 . . . . 0.0 112.591 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.479 ' HB2' ' OD2' ' B' ' 628' ' ' ASP . 46.0 m170 -76.82 170.84 15.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 110.578 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.51 148.59 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.58 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.49 ' H ' ' HA ' ' B' ' 621' ' ' SER . 0.3 OUTLIER -60.46 -44.53 95.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.749 -179.809 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.33 -19.07 32.34 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.806 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.593 ' HG3' ' HB3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER 49.84 68.62 3.28 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.82 -17.09 3.33 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.636 2.224 . . . . 0.0 112.937 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.82 66.63 1.54 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.024 0.44 . . . . 0.0 111.455 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.426 ' HG2' HG22 ' B' ' 614' ' ' THR . 1.4 mtt -69.76 -27.53 65.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.8 140.6 21.35 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.997 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -73.59 175.05 11.21 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.477 2.118 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -75.02 169.11 18.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.398 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.91 -34.15 76.83 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.372 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.626 ' HB3' ' HB3' ' A' ' 607' ' ' ALA . 6.3 t -77.76 130.18 36.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.793 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.2 p -70.76 -35.79 72.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -46.94 42.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.626 ' HB3' ' HB3' ' A' ' 604' ' ' SER . . . -62.2 -32.46 73.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.819 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.93 86.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.393 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 605' ' ' SER . 5.8 t -66.46 -44.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -45.98 84.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.192 0.52 . . . . 0.0 111.8 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.85 -32.02 73.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.42 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -66.79 -46.06 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 111.148 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.41 -44.59 92.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 618' ' ' GLU . 64.7 p -67.42 -32.83 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.605 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.791 ' HB3' HG11 ' B' ' 616' ' ' VAL . 1.8 mt-30 -62.75 -54.26 41.89 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.802 HG11 ' HB3' ' C' ' 615' ' ' GLN . 3.1 t -66.96 -33.17 61.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.585 ' HB3' ' HG3' ' C' ' 596' ' ' LYS . 0.1 OUTLIER -63.78 -53.13 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 -179.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 614' ' ' THR . 76.4 mt-10 -64.76 -41.99 95.48 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 623' ' ' ILE . 10.2 tp -59.7 -40.13 86.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.623 ' HD2' HD22 ' C' ' 619' ' ' LEU . 0.0 OUTLIER -58.85 -44.94 91.12 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.978 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' C' ' 594' ' ' GLU . 0.5 OUTLIER -57.11 -41.05 78.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.634 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 619' ' ' LEU . 46.9 mt -64.79 -37.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.611 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 619' ' ' LEU . 0.9 OUTLIER -63.67 -43.25 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.272 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -42.53 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.661 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 24.4 m -63.22 -43.61 97.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.012 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.5 -36.42 71.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.44 20.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . 0.557 ' HB3' HH21 ' A' ' 632' ' ' ARG . 26.2 m-20 -66.34 -29.87 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.083 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.661 ' HB2' ' O ' ' A' ' 625' ' ' THR . 5.9 tt0 -65.02 -44.19 90.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 627' ' ' LYS . 4.5 pt20 -66.42 -35.88 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 634' ' ' ILE . 15.6 mttm -61.85 -47.69 83.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . 0.557 HH21 ' HB3' ' A' ' 628' ' ' ASP . 9.0 mtt180 -67.71 -38.87 84.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.024 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.591 ' HB3' HG21 ' B' ' 634' ' ' ILE . 52.3 mt-10 -58.96 -52.92 63.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' C' ' 633' ' ' GLU . 1.7 pp -68.1 -35.23 70.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.125 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.55 -52.81 63.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.448 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.47 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.451 HD23 HD12 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -62.46 -41.51 98.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.607 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.6 -42.37 98.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.811 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.57 -37.17 82.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.008 0.432 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.4 OUTLIER -68.69 -40.23 80.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.768 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.28 -39.31 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 647' ' ' ILE . 2.5 tt0 -65.49 -41.51 93.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.217 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.677 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 4.3 tt0 -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 2.5 mmtt -68.47 -48.1 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -45.03 88.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.263 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 643' ' ' GLU . 4.8 tt -67.08 -36.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.25 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.667 HH11 ' HG3' ' A' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.3 66.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.02 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.434 ' HG ' HH12 ' A' ' 648' ' ' ARG . 0.4 OUTLIER -60.74 -41.07 94.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.736 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 647' ' ' ILE . 19.8 mtp180 -59.0 -45.61 90.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.655 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 655' ' ' VAL . 8.7 tp -63.06 -31.45 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.667 ' HG3' HH11 ' A' ' 648' ' ' ARG . 2.7 mm-40 -60.33 -41.86 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.27 89.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 111.363 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.471 ' O ' HG13 ' A' ' 658' ' ' ILE . 16.6 tt0 -62.68 -43.95 97.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 651' ' ' LEU . 81.6 t -57.78 -45.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -38.35 69.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.23 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.741 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 654' ' ' GLU . 0.6 OUTLIER -63.01 -34.89 69.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.699 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.41 ' HD3' ' OE1' ' A' ' 663' ' ' GLN . 0.3 OUTLIER -70.66 -41.27 72.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.048 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -45.65 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.992 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.805 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -71.66 -35.21 70.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.307 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' C' ' 661' ' ' ALA . 1.2 tp -68.03 -31.24 70.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.539 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . 0.41 ' OE1' ' HD3' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -80.94 -30.43 35.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.91 -37.5 84.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . 0.476 ' HB2' ' OD2' ' C' ' 628' ' ' ASP . 46.1 m170 -76.78 170.9 15.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.5 148.64 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.546 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.481 ' H ' ' HA ' ' C' ' 621' ' ' SER . 0.3 OUTLIER -60.58 -44.47 96.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.731 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.01 32.39 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.747 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.592 ' HG3' ' HB3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER 49.69 68.71 3.21 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -86.92 -16.93 3.3 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.538 2.158 . . . . 0.0 112.952 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.91 66.65 1.54 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.103 0.478 . . . . 0.0 111.494 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.428 ' HG2' HG22 ' C' ' 614' ' ' THR . 1.4 mtt -69.75 -27.54 65.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.82 140.63 21.36 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.031 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -73.57 175.06 11.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.502 2.134 . . . . 0.0 112.412 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -75.07 169.16 18.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.403 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.16 76.9 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.303 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.626 ' HB3' ' HB3' ' B' ' 607' ' ' ALA . 6.3 t -77.73 130.16 36.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.789 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.2 p -70.77 -35.81 72.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -46.94 42.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.626 ' HB3' ' HB3' ' B' ' 604' ' ' SER . . . -62.22 -32.47 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.76 86.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.789 HG23 ' O ' ' B' ' 605' ' ' SER . 5.9 t -66.61 -45.02 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -46.15 83.67 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.212 0.53 . . . . 0.0 111.796 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -66.75 -32.07 73.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 612' ' ' LEU . 0.0 OUTLIER -66.78 -46.13 76.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.25 -44.68 92.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' B' ' 618' ' ' GLU . 64.9 p -67.39 -32.85 74.04 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.608 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.779 ' HB3' HG11 ' C' ' 616' ' ' VAL . 1.8 mt-30 -62.81 -54.13 43.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.018 0.437 . . . . 0.0 111.184 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.791 HG11 ' HB3' ' A' ' 615' ' ' GLN . 3.1 t -67.03 -33.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.593 ' HB3' ' HG3' ' A' ' 596' ' ' LYS . 0.1 OUTLIER -63.77 -53.02 57.44 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.36 -179.758 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 614' ' ' THR . 76.4 mt-10 -64.75 -42.08 95.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.658 ' O ' HD12 ' B' ' 623' ' ' ILE . 10.3 tp -59.68 -40.23 87.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.633 ' HD2' HD22 ' A' ' 619' ' ' LEU . 0.0 OUTLIER -58.8 -44.97 90.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.49 ' HA ' ' H ' ' A' ' 594' ' ' GLU . 0.5 OUTLIER -57.22 -40.97 78.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' B' ' 619' ' ' LEU . 46.5 mt -64.7 -37.63 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 0.0 111.711 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.658 HD12 ' O ' ' B' ' 619' ' ' LEU . 0.9 OUTLIER -63.81 -43.13 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . 0.406 ' HG2' ' HB2' ' A' ' 592' ' ' HIS . 4.7 tt0 -66.14 -42.57 88.93 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.66 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 24.2 m -63.11 -43.68 97.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.48 -36.39 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.55 19.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . 0.559 ' HB3' HH21 ' B' ' 632' ' ' ARG . 26.2 m-20 -66.18 -29.99 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.017 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.66 ' HB2' ' O ' ' B' ' 625' ' ' THR . 5.9 tt0 -64.97 -44.15 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.762 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 627' ' ' LYS . 4.5 pt20 -66.5 -35.86 81.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.994 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.483 ' O ' HG13 ' B' ' 634' ' ' ILE . 15.6 mttm -61.81 -47.72 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.559 HH21 ' HB3' ' B' ' 628' ' ' ASP . 9.0 mtt180 -67.67 -38.93 84.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.953 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.595 ' HB3' HG21 ' C' ' 634' ' ' ILE . 52.4 mt-10 -58.91 -52.99 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 111.894 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.591 HG21 ' HB3' ' A' ' 633' ' ' GLU . 1.7 pp -68.12 -35.19 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.132 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.51 -52.83 63.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.479 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -38.53 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.439 HD23 HD12 ' C' ' 641' ' ' LEU . 0.5 OUTLIER -62.38 -41.51 98.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -38.08 86.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 22.3 m -63.55 -42.4 98.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.786 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.5 -37.29 82.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.638 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.4 OUTLIER -68.58 -40.28 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.767 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.32 -39.3 85.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.471 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.567 ' O ' HG22 ' B' ' 647' ' ' ILE . 2.5 tt0 -65.53 -41.4 93.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.28 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.663 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 4.2 tt0 -71.95 -28.81 63.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.677 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 2.5 mmtt -68.49 -48.07 65.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.698 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.0 88.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.567 HG22 ' O ' ' B' ' 643' ' ' GLU . 4.8 tt -67.14 -36.88 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 111.245 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.666 HH11 ' HG3' ' B' ' 652' ' ' GLN . 6.0 tmm_? -70.98 -44.34 66.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.044 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.442 ' HG ' HH12 ' B' ' 648' ' ' ARG . 0.4 OUTLIER -60.67 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.735 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' B' ' 647' ' ' ILE . 19.9 mtp180 -58.99 -45.57 90.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.612 ' O ' HG23 ' B' ' 655' ' ' VAL . 8.7 tp -63.12 -31.41 72.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.666 ' HG3' HH11 ' B' ' 648' ' ' ARG . 2.7 mm-40 -60.36 -41.84 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.149 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.34 -40.29 89.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.358 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 658' ' ' ILE . 16.5 tt0 -62.71 -43.88 97.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.497 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 651' ' ' LEU . 81.5 t -57.78 -45.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.22 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -38.3 69.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.54 -47.26 82.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.679 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.481 HG22 HD13 ' C' ' 662' ' ' LEU . 0.6 OUTLIER -63.04 -34.87 69.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.688 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 658' ' ' ILE . 0.3 OUTLIER -70.67 -41.21 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -45.61 84.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.822 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.344 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 661' ' ' ALA . 1.2 tp -68.0 -31.23 70.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.571 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . 0.403 ' OE1' ' HD3' ' B' ' 659' ' ' LYS . 0.0 OUTLIER -80.97 -30.4 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.91 -37.5 84.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . 0.479 ' HB2' ' OD2' ' A' ' 628' ' ' ASP . 46.3 m170 -76.74 170.89 15.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.375 . . . . 0.0 110.686 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.51 148.57 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.58 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.481 ' H ' ' HA ' ' A' ' 621' ' ' SER . 0.3 OUTLIER -60.55 -44.5 96.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.73 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.02 32.37 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.764 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.585 ' HG3' ' HB3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER 49.66 68.64 3.28 Favored Pre-proline 0 CA--C 1.53 0.2 0 N-CA-C 110.69 -0.115 . . . . 0.0 110.69 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -86.83 -16.98 3.36 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.607 2.205 . . . . 0.0 113.053 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.9 66.62 1.54 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.009 0.433 . . . . 0.0 111.477 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.419 ' HG2' HG22 ' A' ' 614' ' ' THR . 1.4 mtt -69.78 -27.5 64.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.558 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.82 140.56 21.31 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.0 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.55 175.12 11.1 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.41 2.073 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -75.12 169.16 18.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.349 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.18 76.93 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.358 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' C' ' 607' ' ' ALA . 6.3 t -77.76 130.13 36.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.788 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.2 p -70.7 -35.73 72.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.94 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -47.03 41.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.624 ' HB3' ' HB3' ' C' ' 604' ' ' SER . . . -62.16 -32.39 72.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.77 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.439 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.788 HG23 ' O ' ' C' ' 605' ' ' SER . 5.8 t -66.55 -44.94 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.618 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -46.11 84.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 111.752 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 -32.07 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.47 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' C' ' 612' ' ' LEU . 0.0 OUTLIER -66.79 -46.15 76.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.79 0.329 . . . . 0.0 111.113 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -59.21 -44.68 92.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' C' ' 618' ' ' GLU . 64.3 p -67.45 -32.79 73.89 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.609 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.802 ' HB3' HG11 ' A' ' 616' ' ' VAL . 1.8 mt-30 -62.86 -54.2 42.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.965 0.412 . . . . 0.0 111.162 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' B' ' 615' ' ' GLN . 3.2 t -66.96 -33.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.592 ' HB3' ' HG3' ' B' ' 596' ' ' LYS . 0.1 OUTLIER -63.74 -53.13 55.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.299 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' C' ' 614' ' ' THR . 76.4 mt-10 -64.72 -42.03 95.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.646 ' O ' HD12 ' C' ' 623' ' ' ILE . 10.2 tp -59.69 -40.19 87.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.612 ' HD2' HD22 ' B' ' 619' ' ' LEU . 0.0 OUTLIER -58.83 -44.97 91.04 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' B' ' 594' ' ' GLU . 0.5 OUTLIER -57.19 -40.98 78.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.538 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' C' ' 619' ' ' LEU . 46.7 mt -64.8 -37.63 80.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.646 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.646 HD12 ' O ' ' C' ' 619' ' ' LEU . 0.9 OUTLIER -63.73 -43.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.222 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.04 -42.6 89.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.659 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 24.3 m -63.1 -43.58 98.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.036 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 2.7 ttm -71.57 -36.35 70.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' C' ' 630' ' ' GLN . 14.0 tttt -61.16 -56.51 19.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . 0.575 ' HB3' HH21 ' C' ' 632' ' ' ARG . 26.3 m-20 -66.33 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.045 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.659 ' HB2' ' O ' ' C' ' 625' ' ' THR . 5.9 tt0 -65.05 -44.06 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' C' ' 627' ' ' LYS . 4.5 pt20 -66.51 -35.89 81.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.482 ' O ' HG13 ' C' ' 634' ' ' ILE . 15.5 mttm -61.81 -47.73 83.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' C' ' 628' ' ' ASP . 9.0 mtt180 -67.7 -38.88 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.001 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.589 ' HB3' HG21 ' A' ' 634' ' ' ILE . 52.3 mt-10 -58.93 -52.92 63.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.082 0.467 . . . . 0.0 111.884 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.595 HG21 ' HB3' ' B' ' 633' ' ' GLU . 1.7 pp -68.17 -35.19 70.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.118 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -59.54 -52.79 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -38.49 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.434 HD23 HD12 ' A' ' 641' ' ' LEU . 0.5 OUTLIER -62.35 -41.6 98.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.747 179.582 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 22.1 m -63.6 -42.31 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.54 -37.3 82.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.639 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -68.65 -40.25 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.772 179.591 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.23 -39.37 86.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.468 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.557 ' O ' HG22 ' C' ' 647' ' ' ILE . 2.5 tt0 -65.46 -41.47 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.224 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.655 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 4.2 tt0 -71.99 -28.78 63.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.663 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 2.5 mmtt -68.5 -48.06 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -45.01 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 643' ' ' GLU . 4.8 tt -67.17 -36.97 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 121.089 0.471 . . . . 0.0 111.171 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.67 HH11 ' HG3' ' C' ' 652' ' ' GLN . 6.0 tmm_? -70.89 -44.37 66.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.431 ' HG ' HH12 ' C' ' 648' ' ' ARG . 0.4 OUTLIER -60.64 -41.1 94.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.418 ' NH1' ' HA ' ' C' ' 647' ' ' ILE . 19.8 mtp180 -59.06 -45.54 90.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.662 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.606 ' O ' HG23 ' C' ' 655' ' ' VAL . 8.7 tp -63.09 -31.52 72.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.67 ' HG3' HH11 ' C' ' 648' ' ' ARG . 2.7 mm-40 -60.24 -41.89 94.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.146 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.8 mmt -66.37 -40.26 89.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.469 ' O ' HG13 ' C' ' 658' ' ' ILE . 16.6 tt0 -62.69 -43.91 97.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.478 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.606 HG23 ' O ' ' C' ' 651' ' ' LEU . 82.9 t -57.76 -45.78 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.457 . . . . 0.0 111.239 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -38.31 69.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.51 -47.26 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.744 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 662' ' ' LEU . 0.6 OUTLIER -62.99 -34.88 68.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.644 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.409 ' HD3' ' OE1' ' C' ' 663' ' ' GLN . 0.3 OUTLIER -70.75 -41.21 72.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 111.018 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -45.75 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . 0.823 ' HB3' HD21 ' A' ' 662' ' ' LEU . . . -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.32 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' B' ' 661' ' ' ALA . 1.2 tp -68.06 -31.28 70.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.449 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . 0.409 ' OE1' ' HD3' ' C' ' 659' ' ' LYS . 0.0 OUTLIER -81.01 -30.28 34.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 3.6 t -61.94 -37.56 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.573 -0.211 . . . . 0.0 112.573 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.32 79.58 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.675 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.613 ' HB3' ' HE3' ' A' ' 596' ' ' LYS . 0.0 OUTLIER -158.97 126.59 4.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.608 -179.512 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -66.15 139.76 58.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.697 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 79.66 3.58 89.04 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.778 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.613 ' HE3' ' HB3' ' A' ' 593' ' ' MET . 0.8 OUTLIER -116.62 105.37 50.13 Favored Pre-proline 0 CA--C 1.53 0.212 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.534 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.0 Cg_endo -86.3 145.44 8.36 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.62 2.214 . . . . 0.0 112.962 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' C' ' 604' ' ' SER . 10.2 ttpt -164.53 132.55 3.36 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.05 0.452 . . . . 0.0 111.399 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 3.9 mtt -140.03 120.33 13.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.643 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.2 OUTLIER -136.63 -61.92 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.944 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.643 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.0 Cg_endo -75.38 138.75 22.54 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.428 2.086 . . . . 0.0 112.37 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -106.83 120.1 41.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.36 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -148.96 156.86 42.89 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.55 ' HA ' ' HE2' ' B' ' 598' ' ' LYS . 51.0 m -49.41 -30.55 8.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -29.21 58.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.79 64.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' B' ' 598' ' ' LYS . . . -60.8 -39.3 88.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.32 90.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.92 -38.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.69 -50.81 71.96 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.152 0.501 . . . . 0.0 111.754 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.523 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 0.5 OUTLIER -62.12 -39.18 91.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.815 ' O ' HG23 ' A' ' 616' ' ' VAL . 12.3 mt -61.48 -44.27 97.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 111.076 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.695 ' HA ' HD21 ' C' ' 612' ' ' LEU . 11.2 ttm180 -56.47 -43.84 79.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.019 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -45.78 92.61 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.646 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.58 -38.97 92.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 111.203 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 612' ' ' LEU . 36.2 t -62.45 -50.7 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -47.2 86.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.346 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.3 -31.61 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.56 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -61.97 -50.9 70.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.4 OUTLIER -58.15 -43.14 87.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.25 78.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.64 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 619' ' ' LEU . 20.1 mt -63.97 -43.74 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.58 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 620' ' ' ARG . 4.6 mt -65.32 -43.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.234 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.43 -42.31 86.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.81 -45.12 72.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.475 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 19.3 mtt -60.98 -37.45 82.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.471 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.7 OUTLIER -65.21 -38.55 90.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.49 -45.65 82.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.61 -48.52 72.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.569 HE21 ' HG2' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -60.3 -44.08 95.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.568 ' HG2' HE21 ' C' ' 630' ' ' GLN . 4.0 mmtm -64.91 -38.18 90.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -41.44 97.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.009 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.496 ' HB3' HG21 ' B' ' 634' ' ' ILE . 1.1 mm-40 -64.27 -44.02 93.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.03 0.443 . . . . 0.0 111.839 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' C' ' 633' ' ' GLU . 35.3 mt -63.82 -41.39 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.082 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 638' ' ' LEU . 4.9 mmpp? -61.61 -37.92 85.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.5 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.3 95.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.992 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.3 mt -62.44 -41.84 99.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.6 ' HA ' HD21 ' C' ' 637' ' ' LEU . 2.0 mt -59.53 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -34.46 74.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -44.46 80.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.26 -31.98 73.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.76 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.38 -50.1 75.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.489 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.483 ' HA ' ' OE1' ' A' ' 643' ' ' GLU . 1.2 mm-40 -64.3 -37.14 86.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.283 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.578 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -61.56 -40.28 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.464 ' HD3' HH22 ' A' ' 648' ' ' ARG . 3.5 mttt -66.65 -37.47 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.417 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 0.0 OUTLIER -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.84 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 111.187 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.561 HH21 ' HG2' ' C' ' 644' ' ' GLU . 4.4 tmm_? -61.49 -47.14 87.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.01 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.4 -46.62 80.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 33.4 mtt180 -62.15 -37.6 85.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.664 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.4 OUTLIER -57.41 -44.98 85.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.403 ' HA ' HD21 ' C' ' 651' ' ' LEU . 6.0 tt0 -65.74 -34.43 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.122 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.849 0.357 . . . . 0.0 111.28 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.93 -36.25 82.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 651' ' ' LEU . 25.0 t -66.37 -37.29 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.171 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.54 -53.42 48.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.719 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.753 HG13 HD22 ' B' ' 662' ' ' LEU . 13.0 tt -65.91 -31.98 56.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.642 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.6 -49.65 67.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.592 ' HA ' ' HZ2' ' A' ' 660' ' ' LYS . 1.0 OUTLIER -62.51 -43.29 99.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.84 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.33 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.766 HD22 HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -62.52 -32.71 73.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.82 -21.88 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.4 m -71.63 -25.1 62.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 20.8 pttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.067 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.599 -0.2 . . . . 0.0 112.599 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.26 79.56 1.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.868 0.366 . . . . 0.0 110.666 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . 0.614 ' HB3' ' HE3' ' B' ' 596' ' ' LYS . 0.0 OUTLIER -158.96 126.69 4.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.584 -179.548 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -66.24 139.78 58.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.726 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 79.59 3.77 89.03 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.771 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.614 ' HE3' ' HB3' ' B' ' 593' ' ' MET . 0.8 OUTLIER -116.77 105.4 49.82 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.523 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 91.5 Cg_endo -86.29 145.41 8.36 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.609 2.206 . . . . 0.0 113.045 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 604' ' ' SER . 10.1 ttpt -164.5 132.48 3.36 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.03 0.443 . . . . 0.0 111.439 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 3.9 mtt -140.03 120.31 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.567 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.638 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.2 OUTLIER -136.59 -61.86 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.974 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.638 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.1 Cg_endo -75.3 138.75 22.73 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.436 2.091 . . . . 0.0 112.355 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -106.87 120.14 41.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.367 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.687 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -148.98 156.79 42.79 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.337 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.535 ' HA ' ' HE2' ' C' ' 598' ' ' LYS . 51.0 m -49.37 -30.54 7.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.23 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -29.2 58.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.896 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -70.98 -28.81 64.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' C' ' 598' ' ' LYS . . . -60.83 -39.21 88.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.29 91.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.462 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.99 -38.2 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.75 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.735 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.527 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 0.5 OUTLIER -62.23 -39.13 91.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 179.449 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.826 ' O ' HG23 ' B' ' 616' ' ' VAL . 12.3 mt -61.54 -44.15 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.799 0.333 . . . . 0.0 111.111 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.678 ' HA ' HD21 ' A' ' 612' ' ' LEU . 11.2 ttm180 -56.56 -43.77 80.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.033 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -45.75 92.89 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.57 -39.05 93.04 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 111.147 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.826 HG23 ' O ' ' B' ' 612' ' ' LEU . 35.8 t -62.41 -50.63 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -59.81 -47.12 86.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.31 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.45 -31.43 72.64 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.979 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -62.01 -50.89 70.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.99 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.3 OUTLIER -58.16 -43.09 87.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.85 -36.32 78.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 619' ' ' LEU . 20.1 mt -64.0 -43.68 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.57 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 620' ' ' ARG . 4.6 mt -65.33 -43.8 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -42.27 86.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.8 -45.07 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.958 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.483 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 19.2 mtt -61.05 -37.43 82.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.475 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.7 OUTLIER -65.29 -38.51 90.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.021 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.48 -45.64 82.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.57 -48.56 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.559 HE21 ' HG2' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -60.26 -44.12 95.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.569 ' HG2' HE21 ' A' ' 630' ' ' GLN . 4.0 mmtm -64.79 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -64.09 -41.4 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.974 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.506 ' HB3' HG21 ' C' ' 634' ' ' ILE . 1.1 mm-40 -64.34 -44.08 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 0.0 111.808 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' A' ' 633' ' ' GLU . 35.0 mt -63.76 -41.32 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.162 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' B' ' 638' ' ' LEU . 4.9 mmpp? -61.76 -37.81 85.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.478 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -40.32 95.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.3 mt -62.39 -41.8 98.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HA ' HD21 ' A' ' 637' ' ' LEU . 2.0 mt -59.51 -50.06 75.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -34.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -44.39 80.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.75 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -59.33 -50.11 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.501 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.501 ' HA ' ' OE1' ' B' ' 643' ' ' GLU . 1.2 mm-40 -64.37 -37.19 86.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.2 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.572 ' HG2' HH21 ' C' ' 648' ' ' ARG . 0.0 OUTLIER -61.44 -40.39 94.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.89 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.45 ' HD3' HH22 ' B' ' 648' ' ' ARG . 3.5 mttt -66.58 -37.54 85.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.681 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.411 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -62.31 -47.66 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.92 -39.87 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 111.21 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.578 HH21 ' HG2' ' A' ' 644' ' ' GLU . 4.4 tmm_? -61.41 -47.15 87.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.38 -46.63 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 33.1 mtt180 -62.14 -37.58 85.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.587 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.4 OUTLIER -57.46 -45.07 85.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.737 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.406 ' HA ' HD21 ' A' ' 651' ' ' LEU . 6.0 tt0 -65.61 -34.4 78.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.232 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -43.85 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.03 -36.23 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 651' ' ' LEU . 25.1 t -66.4 -37.24 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.58 -43.28 97.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.4 -53.43 48.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.746 HG13 HD22 ' C' ' 662' ' ' LEU . 13.0 tt -66.07 -31.79 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.678 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.531 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.74 -49.62 67.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . 0.516 ' HZ2' ' HA ' ' B' ' 660' ' ' LYS . 1.0 OUTLIER -62.49 -43.29 99.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.66 97.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.304 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.753 HD22 HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -62.57 -32.73 73.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.514 179.506 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . 0.463 ' HB2' ' HZ2' ' B' ' 660' ' ' LYS . 1.9 mm-40 -82.82 -21.83 34.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m -71.75 -24.98 61.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 20.8 pttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.068 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.582 -0.207 . . . . 0.0 112.582 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.32 79.56 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.668 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . 0.588 ' HB3' ' HE3' ' C' ' 596' ' ' LYS . 0.0 OUTLIER -158.99 126.63 4.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.563 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -66.16 139.75 58.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.706 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 79.65 3.65 89.06 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.801 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.588 ' HE3' ' HB3' ' C' ' 593' ' ' MET . 0.8 OUTLIER -116.71 105.35 50.0 Favored Pre-proline 0 CA--C 1.531 0.219 0 N-CA-C 110.637 -0.134 . . . . 0.0 110.637 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.527 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 91.9 Cg_endo -86.31 145.35 8.31 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.607 2.205 . . . . 0.0 113.063 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' B' ' 604' ' ' SER . 10.2 ttpt -164.45 132.56 3.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.075 0.464 . . . . 0.0 111.451 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 3.9 mtt -140.04 120.43 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.513 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.641 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.2 OUTLIER -136.66 -61.92 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.003 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.641 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.3 Cg_endo -75.35 138.73 22.58 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.397 2.065 . . . . 0.0 112.368 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -106.79 120.15 41.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.418 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.692 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -148.96 156.72 42.69 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.322 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.53 ' HA ' ' HE2' ' A' ' 598' ' ' LYS . 51.1 m -49.34 -30.56 7.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -29.14 58.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.859 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.02 -28.81 64.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 598' ' ' LYS . . . -60.75 -39.32 88.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.34 91.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.396 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.97 -38.23 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.77 -50.74 72.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.534 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 0.5 OUTLIER -62.18 -39.11 91.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.378 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.832 ' O ' HG23 ' C' ' 616' ' ' VAL . 12.3 mt -61.51 -44.25 97.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.679 ' HA ' HD21 ' B' ' 612' ' ' LEU . 11.2 ttm180 -56.51 -43.86 80.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -45.85 92.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.626 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.54 -39.08 93.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.012 0.434 . . . . 0.0 111.166 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.832 HG23 ' O ' ' C' ' 612' ' ' LEU . 36.4 t -62.34 -50.7 78.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.172 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -59.74 -47.17 86.72 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.38 -31.46 72.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -62.0 -50.92 70.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.998 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.521 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.4 OUTLIER -58.13 -43.13 87.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.2 t -60.82 -36.34 78.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' C' ' 619' ' ' LEU . 20.2 mt -63.94 -43.68 97.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.593 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' C' ' 620' ' ' ARG . 4.6 mt -65.39 -43.73 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -42.15 86.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.249 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.7 p -68.87 -45.02 72.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.039 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.471 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 19.3 mtt -61.02 -37.53 82.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.483 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.7 OUTLIER -65.13 -38.54 90.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.44 -45.67 82.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.073 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -65.6 -48.51 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.568 HE21 ' HG2' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -60.25 -44.08 95.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.559 ' HG2' HE21 ' B' ' 630' ' ' GLN . 3.9 mmtm -64.96 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -41.44 97.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.078 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.489 ' HB3' HG21 ' A' ' 634' ' ' ILE . 1.1 mm-40 -64.33 -43.92 93.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.055 0.455 . . . . 0.0 111.921 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' B' ' 633' ' ' GLU . 35.4 mt -63.91 -41.3 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.066 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' C' ' 638' ' ' LEU . 4.9 mmpp? -61.72 -37.86 85.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.509 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.32 95.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.997 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.3 mt -62.4 -41.86 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.773 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.614 ' HA ' HD21 ' B' ' 637' ' ' LEU . 2.0 mt -59.51 -50.05 75.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -34.53 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.795 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.52 80.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.939 0.399 . . . . 0.0 110.811 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.839 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.53 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.459 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.487 ' HA ' ' OE1' ' C' ' 643' ' ' GLU . 1.2 mm-40 -64.33 -37.19 86.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.249 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.561 ' HG2' HH21 ' A' ' 648' ' ' ARG . 0.0 OUTLIER -61.47 -40.35 94.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.894 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.453 ' HD3' HH22 ' C' ' 648' ' ' ARG . 3.5 mttt -66.53 -37.54 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.712 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.42 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -62.34 -47.7 83.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.84 -39.86 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.054 0.454 . . . . 0.0 111.219 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.572 HH21 ' HG2' ' B' ' 644' ' ' GLU . 4.4 tmm_? -61.5 -47.03 87.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.45 -46.65 80.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 33.2 mtt180 -62.22 -37.45 85.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.699 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.581 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.4 OUTLIER -57.5 -44.98 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.772 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.416 ' HA ' HD21 ' B' ' 651' ' ' LEU . 6.0 tt0 -65.7 -34.43 78.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.16 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -43.76 98.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.298 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.04 -36.24 82.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.581 HG23 ' O ' ' C' ' 651' ' ' LEU . 25.1 t -66.45 -37.19 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.177 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.54 -43.32 97.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.52 -53.34 49.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.749 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.766 HG13 HD22 ' A' ' 662' ' ' LEU . 13.0 tt -66.01 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.678 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.532 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.64 -49.65 67.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.833 0.349 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . 0.649 ' HZ2' ' HA ' ' C' ' 660' ' ' LYS . 1.0 OUTLIER -62.53 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.73 97.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.299 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.746 HD22 HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -62.59 -32.73 73.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.463 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.3 m -71.64 -25.08 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 20.7 pttt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.062 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.41 ' N ' HG23 ' B' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.49 2.233 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -75.41 154.83 36.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.917 0.389 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 4.5 mtp -136.34 147.09 47.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.582 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.706 ' HG2' ' HG2' ' B' ' 620' ' ' ARG . 0.5 OUTLIER -69.59 -31.79 70.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.694 -179.753 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.82 -12.47 69.3 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.801 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.613 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER 46.96 69.73 2.5 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -85.42 -10.44 7.66 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.576 2.184 . . . . 0.0 112.996 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.448 ' HE2' ' HE ' ' B' ' 617' ' ' ARG . 11.3 pttt -130.82 51.9 2.09 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.078 0.466 . . . . 0.0 111.446 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.654 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -61.73 -35.47 78.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.56 138.58 23.82 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.49 ' HD2' ' HG3' ' B' ' 610' ' ' GLU . 66.9 Cg_endo -72.71 164.38 35.74 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.465 2.11 . . . . 0.0 112.407 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -63.65 169.68 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.354 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.25 72.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.298 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.682 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 1.9 m -61.49 141.83 57.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 609' ' ' VAL . 29.9 p -78.92 -42.05 28.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -39.14 74.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 604' ' ' SER . . . -69.07 -34.94 75.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.05 90.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 605' ' ' SER . 38.6 t -64.36 -43.44 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.473 ' HG3' ' HD2' ' C' ' 601' ' ' PRO . 2.3 mt-10 -62.43 -42.5 99.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.173 0.511 . . . . 0.0 111.784 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.31 -39.63 92.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.445 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' B' ' 613' ' ' ARG . 0.4 OUTLIER -62.01 -51.06 69.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.088 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.634 ' HB2' HD21 ' C' ' 612' ' ' LEU . 10.4 tpp180 -57.79 -44.63 86.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.53 -37.89 87.87 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.602 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -45.08 72.42 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.156 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 612' ' ' LEU . 62.0 t -65.26 -36.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.653 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.1 OUTLIER -64.55 -49.39 71.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.337 -179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.544 ' HG2' ' HE3' ' C' ' 596' ' ' LYS . 0.0 OUTLIER -61.5 -41.04 96.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 623' ' ' ILE . 10.5 tp -64.81 -36.98 86.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.697 ' HG2' ' HG2' ' C' ' 594' ' ' GLU . 1.9 ttt180 -59.88 -37.82 80.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -37.98 84.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 619' ' ' LEU . 17.9 mt -67.67 -42.4 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.564 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 619' ' ' LEU . 1.3 mp -60.04 -49.84 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.186 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.16 -32.22 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.22 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.411 HG23 ' N ' ' C' ' 591' ' ' GLY . 52.6 m -73.02 -38.69 66.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.012 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.67 -35.11 74.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -64.93 -49.59 69.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.56 -36.22 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.49 -45.04 92.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.832 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 633' ' ' GLU . 0.9 OUTLIER -66.25 -30.86 71.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 634' ' ' ILE . 8.0 mttm -67.3 -43.32 81.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.71 86.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.028 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.458 ' HB3' HG21 ' B' ' 634' ' ' ILE . 29.2 mt-10 -57.11 -54.8 42.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.855 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.7 pp -63.34 -37.22 78.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 19.3 tptp -60.4 -46.4 90.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.426 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.88 88.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' B' ' 638' ' ' LEU . 2.1 mt -61.84 -39.61 92.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.781 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' C' ' 637' ' ' LEU . 7.1 mt -67.3 -40.85 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.172 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.04 -40.67 94.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -69.33 -44.55 71.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.5 OUTLIER -60.83 -37.95 83.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.805 179.562 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.2 -45.84 79.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.479 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.33 89.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.27 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 1.1 tt0 -60.3 -38.64 84.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.74 98.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 646' ' ' LYS . 0.3 OUTLIER -60.18 -52.78 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 4.6 tt -63.63 -39.25 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 121.068 0.461 . . . . 0.0 111.205 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.543 HH22 HD12 ' A' ' 649' ' ' LEU . 0.7 OUTLIER -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.032 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.543 HD12 HH22 ' A' ' 648' ' ' ARG . 0.3 OUTLIER -63.63 -45.23 91.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.768 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.35 -38.65 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 655' ' ' VAL . 34.0 tp -64.59 -41.45 96.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.692 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.601 ' HG2' HD22 ' C' ' 651' ' ' LEU . 0.5 OUTLIER -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.103 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -44.31 94.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 111.249 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.75 96.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 651' ' ' LEU . 86.1 t -63.04 -40.15 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.21 -36.84 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.59 -45.38 87.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.716 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.548 HD11 HG13 ' B' ' 655' ' ' VAL . 0.0 OUTLIER -66.3 -37.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.72 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 659' ' ' LYS . 1.2 mmtt -68.64 -39.8 80.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.08 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.89 -39.88 79.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.369 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.66 95.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.52 -33.35 60.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t -72.77 -35.63 67.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.626 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.076 -0.964 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.407 ' N ' HG23 ' C' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -75.32 154.78 37.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.916 0.389 . . . . 0.0 110.709 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 4.5 mtp -136.33 146.99 47.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.593 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.708 ' HG2' ' HG2' ' C' ' 620' ' ' ARG . 0.5 OUTLIER -69.55 -31.8 70.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.692 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.75 -12.36 69.53 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.83 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.638 ' HA ' ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER 46.9 69.75 2.49 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 110.639 -0.134 . . . . 0.0 110.639 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.42 -10.5 7.64 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.597 2.198 . . . . 0.0 112.987 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.446 ' HE2' ' HE ' ' C' ' 617' ' ' ARG . 11.3 pttt -130.76 51.87 2.09 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.999 0.428 . . . . 0.0 111.415 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.674 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -61.7 -35.52 78.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.504 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.55 138.57 23.84 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' C' ' 610' ' ' GLU . 66.9 Cg_endo -72.65 164.41 35.68 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.492 2.128 . . . . 0.0 112.396 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -63.71 169.59 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.361 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.25 -50.28 72.37 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.385 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 1.9 m -61.44 141.83 57.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.536 ' O ' HG23 ' B' ' 609' ' ' VAL . 29.7 p -78.93 -42.04 27.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -39.08 73.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' B' ' 604' ' ' SER . . . -69.05 -34.9 75.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.04 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.431 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 605' ' ' SER . 38.7 t -64.45 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.633 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.49 ' HG3' ' HD2' ' A' ' 601' ' ' PRO . 2.3 mt-10 -62.54 -42.4 99.5 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 111.821 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.35 -39.61 92.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.465 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' C' ' 613' ' ' ARG . 0.4 OUTLIER -61.98 -51.11 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.625 ' HB2' HD21 ' A' ' 612' ' ' LEU . 10.4 tpp180 -57.7 -44.68 86.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.079 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 18.0 p -62.45 -37.93 87.82 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.648 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -45.01 72.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.994 0.426 . . . . 0.0 111.171 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 612' ' ' LEU . 61.9 t -65.24 -36.26 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.654 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.1 OUTLIER -64.6 -49.4 71.25 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.271 -179.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.569 ' HG2' ' HE3' ' A' ' 596' ' ' LYS . 0.0 OUTLIER -61.48 -41.08 96.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.741 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.753 ' HA ' HD12 ' B' ' 622' ' ' ILE . 10.5 tp -64.78 -36.97 86.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.706 ' HG2' ' HG2' ' A' ' 594' ' ' GLU . 1.9 ttt180 -59.86 -37.87 80.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -38.02 84.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' B' ' 619' ' ' LEU . 17.9 mt -67.66 -42.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 111.636 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.718 HD12 ' O ' ' B' ' 619' ' ' LEU . 1.3 mp -60.08 -49.76 82.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.235 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.28 -32.08 72.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 591' ' ' GLY . 51.4 m -73.11 -38.76 66.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.911 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.63 -35.12 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.95 -49.57 69.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.53 -36.16 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.58 -45.09 91.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 633' ' ' GLU . 0.9 OUTLIER -66.2 -30.87 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.503 ' O ' HG13 ' B' ' 634' ' ' ILE . 8.1 mttm -67.21 -43.4 82.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -43.73 86.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.017 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.441 ' HB3' HG21 ' C' ' 634' ' ' ILE . 29.2 mt-10 -57.11 -54.78 42.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.089 0.471 . . . . 0.0 111.886 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.7 pp -63.28 -37.21 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.062 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 19.4 tptp -60.44 -46.41 90.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.477 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -39.9 88.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.964 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' C' ' 638' ' ' LEU . 2.1 mt -61.9 -39.62 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.753 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.422 ' HA ' HD21 ' A' ' 637' ' ' LEU . 7.1 mt -67.19 -40.97 86.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.44 -44.37 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.02 0.438 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.42 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.5 OUTLIER -60.92 -37.97 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.742 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 -45.78 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.28 89.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.219 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.93 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.47 -42.72 98.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -52.66 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.276 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.69 -39.23 84.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 111.226 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.539 HH22 HD12 ' B' ' 649' ' ' LEU . 0.7 OUTLIER -61.59 -40.92 96.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.018 -179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.539 HD12 HH22 ' B' ' 648' ' ' ARG . 0.3 OUTLIER -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.773 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.39 -38.51 84.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.696 ' O ' HG23 ' B' ' 655' ' ' VAL . 34.1 tp -64.65 -41.38 96.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.771 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.611 ' HG2' HD22 ' A' ' 651' ' ' LEU . 0.5 OUTLIER -57.57 -48.52 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.21 95.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.31 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.435 ' O ' HG13 ' B' ' 658' ' ' ILE . 2.3 tt0 -61.88 -40.68 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.547 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.696 HG23 ' O ' ' B' ' 651' ' ' LEU . 86.0 t -63.04 -40.06 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.44 -36.73 83.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.48 -45.39 87.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.783 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.534 HD11 HG13 ' C' ' 655' ' ' VAL . 0.0 OUTLIER -66.37 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.668 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' B' ' 659' ' ' LYS . 1.2 mmtt -68.7 -39.76 80.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.784 0.326 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -44.02 69.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.92 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.279 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -75.57 -33.36 60.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.6 t -72.75 -35.62 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.636 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.088 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 625' ' ' THR . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -75.36 154.79 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.659 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 4.5 mtp -136.4 147.06 47.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.55 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.697 ' HG2' ' HG2' ' A' ' 620' ' ' ARG . 0.5 OUTLIER -69.52 -31.83 70.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.696 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.79 -12.46 69.34 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.8 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.631 ' HA ' ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER 46.98 69.72 2.52 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 110.615 -0.142 . . . . 0.0 110.615 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.38 -10.43 7.71 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.588 2.192 . . . . 0.0 113.045 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.47 ' HE2' ' HE ' ' A' ' 617' ' ' ARG . 11.3 pttt -130.8 51.9 2.09 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.053 0.454 . . . . 0.0 111.4 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.653 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -61.75 -35.45 78.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.526 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.58 138.6 23.79 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.473 ' HD2' ' HG3' ' A' ' 610' ' ' GLU . 67.0 Cg_endo -72.7 164.38 35.75 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.504 2.136 . . . . 0.0 112.41 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -63.71 169.74 3.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.352 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.4 -50.23 72.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.314 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.674 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 1.9 m -61.46 141.77 57.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.545 ' O ' HG23 ' C' ' 609' ' ' VAL . 29.4 p -78.9 -42.06 28.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -39.17 74.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.674 ' HB3' ' HB2' ' C' ' 604' ' ' SER . . . -69.04 -34.93 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.99 90.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.451 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.545 HG23 ' O ' ' C' ' 605' ' ' SER . 38.7 t -64.49 -43.4 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.65 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.462 ' HA ' ' HD3' ' B' ' 601' ' ' PRO . 2.3 mt-10 -62.46 -42.48 99.5 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.19 0.519 . . . . 0.0 111.834 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.22 -39.71 93.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.634 HD21 ' HB2' ' A' ' 613' ' ' ARG . 0.4 OUTLIER -61.96 -51.05 69.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 -179.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.637 ' HB2' HD21 ' B' ' 612' ' ' LEU . 10.5 tpp180 -57.8 -44.7 86.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 17.9 p -62.44 -37.88 87.57 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.703 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -45.0 72.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.206 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.459 HG23 ' O ' ' C' ' 612' ' ' LEU . 62.0 t -65.32 -36.27 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.674 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.1 OUTLIER -64.54 -49.4 71.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.562 ' HG2' ' HE3' ' B' ' 596' ' ' LYS . 0.0 OUTLIER -61.49 -41.11 96.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' C' ' 622' ' ' ILE . 10.5 tp -64.7 -37.03 86.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.708 ' HG2' ' HG2' ' B' ' 594' ' ' GLU . 1.9 ttt180 -59.86 -37.84 80.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -37.95 84.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.611 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' C' ' 619' ' ' LEU . 17.9 mt -67.62 -42.39 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 111.625 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.735 HD12 ' O ' ' C' ' 619' ' ' LEU . 1.3 mp -60.08 -49.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.2 -32.2 72.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.215 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.407 HG23 ' N ' ' B' ' 591' ' ' GLY . 52.3 m -73.12 -38.58 66.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.969 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 4.6 ttm -69.73 -35.15 74.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -64.94 -49.52 70.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.059 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.53 -45.09 92.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' C' ' 633' ' ' GLU . 0.9 OUTLIER -66.22 -30.94 71.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.76 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.506 ' O ' HG13 ' C' ' 634' ' ' ILE . 8.0 mttm -67.21 -43.3 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -43.73 86.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.992 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.465 ' HB3' HG21 ' A' ' 634' ' ' ILE . 29.1 mt-10 -57.08 -54.85 42.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.864 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.506 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.7 pp -63.28 -37.22 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.084 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 19.4 tptp -60.34 -46.46 89.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.452 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -39.87 88.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 638' ' ' LEU . 2.1 mt -61.83 -39.59 92.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' B' ' 637' ' ' LEU . 7.1 mt -67.31 -40.9 86.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.148 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 8.7 m -61.05 -40.61 94.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.807 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.51 -44.44 71.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -60.9 -37.98 84.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.76 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -66.1 -45.88 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.509 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -46.36 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.234 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 1.1 tt0 -60.25 -38.65 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.49 -42.69 98.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.78 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' C' ' 646' ' ' LYS . 0.3 OUTLIER -60.24 -52.7 64.16 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.21 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 4.7 tt -63.74 -39.16 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.206 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.548 HH22 HD12 ' C' ' 649' ' ' LEU . 0.7 OUTLIER -61.62 -40.86 96.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.099 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.548 HD12 HH22 ' C' ' 648' ' ' ARG . 0.3 OUTLIER -63.63 -45.3 90.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -60.34 -38.55 84.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.688 ' O ' HG23 ' C' ' 655' ' ' VAL . 34.1 tp -64.65 -41.34 96.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.603 ' HG2' HD22 ' B' ' 651' ' ' LEU . 0.5 OUTLIER -57.6 -48.48 79.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.115 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -44.26 95.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.296 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.451 ' O ' HG13 ' C' ' 658' ' ' ILE . 2.3 tt0 -61.83 -40.71 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.555 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.688 HG23 ' O ' ' C' ' 651' ' ' LEU . 85.6 t -63.05 -40.11 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.191 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -62.37 -36.69 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.56 -45.39 87.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.771 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.544 HD11 HG13 ' A' ' 655' ' ' VAL . 0.0 OUTLIER -66.34 -37.88 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -68.69 -39.77 80.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -43.98 69.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.92 79.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.41 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -75.59 -33.33 60.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.5 t -72.77 -35.62 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.641 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.521 ' HD2' ' HA ' ' B' ' 625' ' ' THR . 0.0 OUTLIER -83.37 -51.85 7.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.399 . . . . 0.0 110.654 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.502 ' SD ' ' HB3' ' B' ' 621' ' ' SER . 0.0 OUTLIER -148.31 133.13 17.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.578 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.507 ' H ' ' HG3' ' A' ' 594' ' ' GLU . 4.8 mt-10 -64.53 -45.95 84.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.686 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 64.2 37.95 95.25 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.81 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.46 120.08 18.71 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.14 66.48 5.15 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.568 2.179 . . . . 0.0 112.991 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 122.51 18.77 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.991 0.424 . . . . 0.0 111.427 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.663 ' HB2' ' HG2' ' B' ' 610' ' ' GLU . 2.3 ptp -149.47 152.69 36.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.548 ' HG3' ' HD2' ' B' ' 613' ' ' ARG . 31.7 mt-10 -117.62 88.34 29.22 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -72.05 -42.12 1.68 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.395 2.063 . . . . 0.0 112.397 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -125.53 99.07 5.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.384 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -167.22 167.45 14.19 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 66.7 m -56.5 133.67 53.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.222 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 66.9 m -70.85 -39.9 72.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.2 -51.63 51.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' A' ' 604' ' ' SER . . . -64.64 -45.93 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.18 82.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.2 -40.07 86.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' C' ' 599' ' ' MET . 1.1 tt0 -64.64 -48.7 73.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.745 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.478 ' HB3' HH21 ' B' ' 613' ' ' ARG . 0.0 OUTLIER -59.09 -39.79 83.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.453 179.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 616' ' ' VAL . 5.0 mt -63.83 -43.06 97.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.068 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.559 ' HD2' ' HG3' ' C' ' 600' ' ' GLU . 0.0 OUTLIER -62.38 -41.15 98.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.641 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -30.38 70.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 111.174 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.3 t -66.42 -47.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -62.8 -46.37 88.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 -179.755 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 622' ' ' ILE . 47.7 mt-10 -60.57 -35.8 76.94 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.976 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.561 ' HG ' ' HD2' ' B' ' 620' ' ' ARG . 0.2 OUTLIER -66.62 -45.54 78.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.555 ' HD2' ' HG ' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.09 -30.76 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . 0.512 ' HB3' ' SD ' ' C' ' 593' ' ' MET . 16.3 m -67.94 -39.57 83.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.6 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.721 HG13 ' O ' ' A' ' 618' ' ' GLU . 3.6 mt -67.47 -40.98 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.559 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 624' ' ' GLU . 0.4 OUTLIER -60.66 -45.49 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.235 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 623' ' ' ILE . 2.5 mt-10 -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.21 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.527 ' HA ' ' HD2' ' C' ' 592' ' ' HIS . 0.2 OUTLIER -65.35 -49.8 68.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.049 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.467 ' HE1' ' HB3' ' B' ' 626' ' ' MET . 3.8 ttm -62.15 -35.08 77.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' C' ' 626' ' ' MET . 5.0 tttp -65.0 -46.91 79.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . 0.448 ' HB2' ' CD2' ' C' ' 592' ' ' HIS . 2.0 m-20 -66.89 -42.93 84.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.598 ' HG3' HH22 ' A' ' 632' ' ' ARG . 1.5 mt-30 -66.17 -33.24 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.466 HE21 ' HG2' ' A' ' 631' ' ' LYS . 1.2 tt0 -69.19 -48.84 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 635' ' ' LYS . 6.7 mmtt -63.92 -46.65 83.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . 0.598 HH22 ' HG3' ' A' ' 629' ' ' GLN . 1.5 ttp-105 -63.77 -45.22 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.948 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 629' ' ' GLN . 4.3 mt-10 -60.9 -49.23 78.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 0.0 111.911 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.869 ' HA ' HD12 ' A' ' 637' ' ' LEU . 1.0 OUTLIER -65.96 -32.37 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.108 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -64.08 -41.78 97.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.402 -179.525 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.64 -45.72 88.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.012 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 634' ' ' ILE . 1.8 mt -60.45 -41.26 93.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.414 HD12 HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 -179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.95 -42.39 99.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 644' ' ' GLU . 1.4 tt0 -64.27 -37.75 88.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.965 0.412 . . . . 0.0 110.848 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.596 ' HG ' HD21 ' B' ' 641' ' ' LEU . 40.9 mt -62.21 -43.79 98.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.826 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.74 -39.08 93.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.435 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.562 ' OE1' ' HA ' ' A' ' 640' ' ' GLU . 8.0 mt-10 -65.53 -41.29 93.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.242 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.733 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 11.8 mt-10 -62.71 -37.47 86.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.826 ' O ' HD12 ' A' ' 649' ' ' LEU . 0.0 OUTLIER -65.28 -44.06 89.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.72 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.538 ' HB3' ' NH1' ' A' ' 650' ' ' ARG . 5.7 mmtp -62.09 -47.05 86.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.2 mt -65.49 -41.05 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.092 0.472 . . . . 0.0 111.21 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.516 HH22 ' HE3' ' A' ' 645' ' ' LYS . 0.1 OUTLIER -65.42 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.02 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -64.27 -46.2 84.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.721 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.538 ' NH1' ' HB3' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -65.41 -32.26 73.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.683 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -64.08 -44.32 92.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.757 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' C' ' 651' ' ' LEU . 1.7 tt0 -66.44 -32.11 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.175 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -38.87 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.309 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.591 ' HB3' HG11 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -64.3 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.502 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' C' ' 654' ' ' GLU . 36.4 t -64.3 -41.42 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 111.148 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.11 -37.8 86.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.524 ' HA ' ' HE3' ' A' ' 660' ' ' LYS . 0.4 OUTLIER -66.91 -42.57 85.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.751 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.546 HG21 HG21 ' C' ' 658' ' ' ILE . 16.3 mt -69.23 -33.58 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.666 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.6 -43.06 85.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.754 0.311 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 657' ' ' ASP . 45.9 mtmt -57.81 -53.63 56.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' A' ' 665' ' ' LYS . . . -67.08 -37.78 84.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.336 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.31 -32.15 73.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -31.0 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -43.92 52.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . 0.517 ' HD2' ' HA ' ' C' ' 625' ' ' THR . 0.0 OUTLIER -83.38 -51.85 7.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.39 . . . . 0.0 110.669 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' C' ' 621' ' ' SER . 0.0 OUTLIER -148.32 133.11 17.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.592 -179.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' B' ' 594' ' ' GLU . 4.8 mt-10 -64.5 -45.94 85.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.755 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 64.22 37.98 95.28 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.75 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.48 120.14 18.72 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.588 -0.153 . . . . 0.0 110.588 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.19 66.46 5.11 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.63 2.22 . . . . 0.0 112.926 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 122.48 18.72 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.992 0.425 . . . . 0.0 111.435 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.692 ' HB2' ' HG2' ' C' ' 610' ' ' GLU . 2.3 ptp -149.45 152.68 36.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.544 ' HG3' ' HD2' ' C' ' 613' ' ' ARG . 31.8 mt-10 -117.68 88.41 29.75 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.012 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.02 -42.2 1.67 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.387 2.058 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -125.48 99.09 5.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.384 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -167.23 167.45 14.18 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.343 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 66.7 m -56.51 133.65 53.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 66.7 m -70.8 -39.97 72.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -51.64 51.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' B' ' 604' ' ' SER . . . -64.67 -45.89 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.12 82.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.468 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.21 -40.07 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.706 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.663 ' HG2' ' HB2' ' A' ' 599' ' ' MET . 1.1 tt0 -64.56 -48.74 73.89 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 111.767 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.466 ' HB3' HH21 ' C' ' 613' ' ' ARG . 0.0 OUTLIER -58.97 -39.93 83.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.439 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.594 ' O ' HG23 ' B' ' 616' ' ' VAL . 5.0 mt -63.8 -43.04 97.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 111.16 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.551 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.0 OUTLIER -62.39 -41.1 98.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.045 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -46.38 90.17 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.669 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -30.54 70.61 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.108 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 612' ' ' LEU . 42.3 t -66.38 -47.52 83.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.225 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HA ' ' HD2' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -62.75 -46.37 88.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.35 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.712 ' O ' HG13 ' B' ' 622' ' ' ILE . 47.7 mt-10 -60.51 -35.85 76.97 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.549 ' HG ' ' HD2' ' C' ' 620' ' ' ARG . 0.2 OUTLIER -66.6 -45.49 79.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.561 ' HD2' ' HG ' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.14 -30.68 71.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.502 ' HB3' ' SD ' ' A' ' 593' ' ' MET . 16.3 m -67.89 -39.62 83.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.712 HG13 ' O ' ' B' ' 618' ' ' GLU . 3.6 mt -67.42 -41.02 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.582 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 624' ' ' GLU . 0.5 OUTLIER -60.7 -45.45 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.215 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' B' ' 623' ' ' ILE . 2.5 mt-10 -61.46 -41.0 96.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.261 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.521 ' HA ' ' HD2' ' A' ' 592' ' ' HIS . 0.2 OUTLIER -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.008 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.467 ' HB3' ' HE1' ' A' ' 626' ' ' MET . 3.8 ttm -62.22 -35.01 77.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.435 ' HG3' ' HG3' ' A' ' 626' ' ' MET . 5.0 tttp -65.06 -46.98 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . 0.452 ' HB2' ' CD2' ' A' ' 592' ' ' HIS . 2.0 m-20 -66.84 -42.9 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.608 ' HG3' HH22 ' B' ' 632' ' ' ARG . 1.5 mt-30 -66.26 -33.19 75.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.47 HE21 ' HG2' ' B' ' 631' ' ' LYS . 1.2 tt0 -69.21 -48.8 61.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.543 ' O ' ' HB2' ' B' ' 635' ' ' LYS . 6.7 mmtt -64.02 -46.65 83.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.608 HH22 ' HG3' ' B' ' 629' ' ' GLN . 1.5 ttp-105 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.945 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' B' ' 629' ' ' GLN . 4.3 mt-10 -60.92 -49.25 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.052 0.453 . . . . 0.0 111.871 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.861 ' HA ' HD12 ' B' ' 637' ' ' LEU . 1.0 OUTLIER -65.99 -32.33 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.077 179.261 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -64.09 -41.74 97.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.443 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -63.69 -45.68 88.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' B' ' 634' ' ' ILE . 1.8 mt -60.51 -41.22 93.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.763 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.403 HD12 HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -61.91 -42.6 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 45.2 m -62.96 -42.42 99.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' B' ' 644' ' ' GLU . 1.4 tt0 -64.27 -37.72 88.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.596 HD21 ' HG ' ' A' ' 641' ' ' LEU . 41.1 mt -62.16 -43.83 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.817 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.74 -38.97 93.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.514 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' B' ' 640' ' ' GLU . 8.0 mt-10 -65.69 -41.25 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.188 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.743 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 11.8 mt-10 -62.66 -37.46 86.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.828 ' O ' HD12 ' B' ' 649' ' ' LEU . 0.0 OUTLIER -65.33 -44.05 89.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.698 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.556 ' HB3' ' NH1' ' B' ' 650' ' ' ARG . 5.7 mmtp -62.14 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 48.1 mt -65.59 -40.94 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.104 0.478 . . . . 0.0 111.234 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.515 HH22 ' HE3' ' B' ' 645' ' ' LYS . 0.1 OUTLIER -65.52 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 -179.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.828 HD12 ' O ' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -64.27 -46.29 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.711 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.556 ' NH1' ' HB3' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -65.25 -32.35 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.716 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -64.08 -44.26 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.735 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.441 ' HA ' HD21 ' A' ' 651' ' ' LEU . 1.7 tt0 -66.49 -32.13 73.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.114 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -38.88 82.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.335 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.62 ' HB3' HG11 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -64.32 -38.49 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.486 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 654' ' ' GLU . 36.8 t -64.3 -41.47 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.99 -37.89 86.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . 0.51 ' HA ' ' HE3' ' B' ' 660' ' ' LYS . 0.4 OUTLIER -66.84 -42.62 85.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.76 179.6 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.544 HG21 HG21 ' A' ' 658' ' ' ILE . 16.2 mt -69.22 -33.58 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.702 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.57 -43.02 86.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.786 0.327 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' B' ' 657' ' ' ASP . 45.9 mtmt -57.89 -53.64 55.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' B' ' 665' ' ' LYS . . . -67.11 -37.76 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.344 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.16 73.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -30.99 56.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -43.92 52.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' B' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . 0.527 ' HD2' ' HA ' ' A' ' 625' ' ' THR . 0.0 OUTLIER -83.43 -51.77 7.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.879 0.371 . . . . 0.0 110.669 179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . 0.512 ' SD ' ' HB3' ' A' ' 621' ' ' SER . 0.0 OUTLIER -148.36 133.1 17.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.616 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.489 ' H ' ' HG3' ' C' ' 594' ' ' GLU . 4.8 mt-10 -64.53 -45.91 85.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.695 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 64.18 38.04 95.38 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.79 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.49 120.04 18.67 Favored Pre-proline 0 CA--C 1.531 0.25 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.21 66.51 5.08 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.553 2.168 . . . . 0.0 112.993 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 122.43 18.6 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.009 0.433 . . . . 0.0 111.407 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.693 ' HB2' ' HG2' ' A' ' 610' ' ' GLU . 2.3 ptp -149.5 152.74 36.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.552 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.559 ' HG3' ' HD2' ' A' ' 613' ' ' ARG . 31.6 mt-10 -117.67 88.36 29.52 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -71.97 -42.24 1.68 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.478 2.118 . . . . 0.0 112.42 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -125.5 99.04 5.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -167.23 167.44 14.2 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.365 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.418 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 66.7 m -56.5 133.68 53.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 67.2 m -70.89 -39.93 72.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -51.67 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' C' ' 604' ' ' SER . . . -64.64 -45.9 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.07 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.428 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.22 -40.06 85.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.692 ' HG2' ' HB2' ' B' ' 599' ' ' MET . 1.1 tt0 -64.6 -48.68 74.0 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.207 0.527 . . . . 0.0 111.814 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.472 ' HB3' HH21 ' A' ' 613' ' ' ARG . 0.0 OUTLIER -59.13 -39.76 83.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 179.437 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.596 ' O ' HG23 ' C' ' 616' ' ' VAL . 5.0 mt -63.88 -43.06 97.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.566 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.0 OUTLIER -62.34 -41.17 98.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.041 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -46.27 90.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.629 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -30.4 70.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.596 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.3 t -66.45 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -62.81 -46.35 88.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.376 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.703 ' O ' HG13 ' C' ' 622' ' ' ILE . 47.7 mt-10 -60.53 -35.88 77.05 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.555 ' HG ' ' HD2' ' A' ' 620' ' ' ARG . 0.2 OUTLIER -66.52 -45.55 79.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.549 ' HD2' ' HG ' ' B' ' 619' ' ' LEU . 0.0 OUTLIER -63.1 -30.77 71.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . 0.507 ' HB3' ' SD ' ' B' ' 593' ' ' MET . 16.3 m -67.9 -39.55 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.604 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.703 HG13 ' O ' ' C' ' 618' ' ' GLU . 3.5 mt -67.52 -40.96 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.582 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' C' ' 624' ' ' GLU . 0.4 OUTLIER -60.7 -45.43 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.203 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' C' ' 623' ' ' ILE . 2.5 mt-10 -61.54 -40.94 96.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.517 ' HA ' ' HD2' ' B' ' 592' ' ' HIS . 0.2 OUTLIER -65.39 -49.76 68.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.037 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.467 ' HB3' ' HE1' ' B' ' 626' ' ' MET . 3.8 ttm -62.17 -35.08 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' B' ' 626' ' ' MET . 5.0 tttp -65.05 -46.91 79.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . 0.447 ' HB2' ' CD2' ' B' ' 592' ' ' HIS . 2.0 m-20 -66.87 -42.96 84.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.601 ' HG3' HH22 ' C' ' 632' ' ' ARG . 1.5 mt-30 -66.17 -33.17 75.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.461 HE21 ' HG2' ' C' ' 631' ' ' LYS . 1.2 tt0 -69.27 -48.81 60.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.009 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' C' ' 635' ' ' LYS . 6.7 mmtt -63.94 -46.69 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . 0.601 HH22 ' HG3' ' C' ' 629' ' ' GLN . 1.4 ttp-105 -63.69 -45.19 91.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.035 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.586 ' HB2' ' O ' ' C' ' 629' ' ' GLN . 4.3 mt-10 -60.93 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.836 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.875 ' HA ' HD12 ' C' ' 637' ' ' LEU . 1.0 OUTLIER -65.98 -32.32 57.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.087 179.251 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -64.14 -41.65 97.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -63.7 -45.75 88.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.013 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' C' ' 634' ' ' ILE . 1.8 mt -60.38 -41.24 93.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.795 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.418 HD12 HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -62.02 -42.56 99.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 45.4 m -62.88 -42.51 99.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' C' ' 644' ' ' GLU . 1.4 tt0 -64.25 -37.66 88.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.592 ' HG ' HD21 ' A' ' 641' ' ' LEU . 41.0 mt -62.22 -43.87 97.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.774 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -63.75 -38.95 93.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.486 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.574 ' OE1' ' HA ' ' C' ' 640' ' ' GLU . 8.0 mt-10 -65.63 -41.26 92.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.19 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.749 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 11.8 mt-10 -62.7 -37.54 86.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.81 ' O ' HD12 ' C' ' 649' ' ' LEU . 0.0 OUTLIER -65.24 -44.11 89.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.668 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.547 ' HB3' ' NH1' ' C' ' 650' ' ' ARG . 5.6 mmtp -62.06 -47.07 86.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 48.4 mt -65.57 -40.95 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.138 0.494 . . . . 0.0 111.221 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.522 HH22 ' HE3' ' C' ' 645' ' ' LYS . 0.1 OUTLIER -65.46 -32.27 73.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.065 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.81 HD12 ' O ' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -64.26 -46.28 84.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.714 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.547 ' NH1' ' HB3' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -65.31 -32.31 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.688 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -64.06 -44.32 92.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.445 ' HA ' HD21 ' B' ' 651' ' ' LEU . 1.7 tt0 -66.45 -32.07 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.177 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -38.83 82.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.38 . . . . 0.0 111.334 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.617 ' HB3' HG11 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -64.28 -38.59 91.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.456 179.589 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' B' ' 654' ' ' GLU . 36.8 t -64.26 -41.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 111.186 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -62.12 -37.82 86.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . 0.513 ' HA ' ' HE3' ' C' ' 660' ' ' LYS . 0.4 OUTLIER -66.86 -42.7 85.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.546 HG21 HG21 ' A' ' 658' ' ' ILE . 16.1 mt -69.14 -33.68 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -66.5 -43.09 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' C' ' 657' ' ' ASP . 45.9 mtmt -57.87 -53.59 56.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . 0.602 ' O ' ' HG2' ' C' ' 665' ' ' LYS . . . -67.09 -37.81 84.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.36 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.04 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.791 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -43.86 52.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' C' ' 661' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.859 ' N ' ' HB2' ' C' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.92 72.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.948 0.404 . . . . 0.0 110.683 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.89 137.02 20.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.615 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -73.45 125.81 28.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.721 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.582 ' H ' ' HA ' ' C' ' 611' ' ' GLU . . . 97.07 -2.88 61.78 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.813 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.79 99.86 52.53 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 110.624 -0.139 . . . . 0.0 110.624 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.642 ' HB3' HH22 ' A' ' 613' ' ' ARG . 93.2 Cg_endo -86.03 166.11 9.84 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.561 2.174 . . . . 0.0 112.968 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.683 ' HE3' ' HA ' ' C' ' 604' ' ' SER . 0.2 OUTLIER -164.38 142.39 6.91 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.035 0.445 . . . . 0.0 111.412 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.84 106.34 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.537 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.663 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 9.6 mt-10 -139.54 -60.56 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.663 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.4 Cg_endo -74.85 100.91 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.522 2.148 . . . . 0.0 112.381 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.67 123.87 23.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.395 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -166.47 172.28 11.01 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.653 ' HA ' ' HE3' ' B' ' 598' ' ' LYS . 3.9 m -53.98 -41.26 67.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.239 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.405 ' HA ' HE21 ' B' ' 606' ' ' GLN . 9.3 t -63.75 -39.53 94.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 2.8 mm-40 -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.856 ' HB2' ' N ' ' B' ' 591' ' ' GLY . . . -61.0 -44.55 97.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' B' ' 598' ' ' LYS . . . -56.88 -44.6 82.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.479 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' C' ' 612' ' ' LEU . 0.2 OUTLIER -64.42 -34.89 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.06 -53.21 58.76 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 111.799 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.591 ' HA ' ' H ' ' B' ' 595' ' ' GLY . 1.7 tm-20 -56.27 -40.73 74.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.397 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 616' ' ' VAL . 72.5 mt -63.06 -40.42 97.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.642 HH22 ' HB3' ' A' ' 597' ' ' PRO . 15.7 ttm-85 -59.05 -40.84 86.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -46.51 81.48 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 619' ' ' LEU . 0.3 OUTLIER -67.39 -33.04 74.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 111.137 -179.452 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 612' ' ' LEU . 42.0 t -63.3 -48.89 85.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -42.75 87.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.317 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -65.4 -35.38 80.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.656 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.1 OUTLIER -64.91 -40.35 94.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.669 ' HA ' HD12 ' A' ' 623' ' ' ILE . 17.2 ttt180 -66.48 -40.29 89.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 10.1 t -63.78 -30.54 71.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.626 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 619' ' ' LEU . 58.5 mt -67.62 -45.73 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.0 mt -66.19 -39.29 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.217 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.32 -47.18 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.957 0.408 . . . . 0.0 111.282 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.54 -50.58 66.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.011 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.521 ' SD ' HG22 ' B' ' 623' ' ' ILE . 14.3 mtt -56.86 -40.25 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.575 ' HA ' HE22 ' C' ' 630' ' ' GLN . 4.4 tmtm? -62.99 -45.55 91.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -37.53 81.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.048 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.484 ' HG3' ' NZ ' ' B' ' 631' ' ' LYS . 36.9 tp60 -67.96 -50.09 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.571 HE22 ' HA ' ' B' ' 627' ' ' LYS . 0.6 OUTLIER -60.81 -36.95 80.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.537 ' HZ1' ' HG3' ' C' ' 629' ' ' GLN . 6.4 mmtt -65.85 -39.71 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -61.69 -35.44 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.95 179.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' B' ' 634' ' ' ILE . 28.8 mt-10 -73.07 -38.68 66.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.043 0.449 . . . . 0.0 111.884 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.42 HG21 ' HB3' ' C' ' 633' ' ' GLU . 65.6 mt -64.62 -41.99 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 631' ' ' LYS . 0.5 OUTLIER -60.33 -48.07 83.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.463 -179.56 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 636' ' ' GLN . 0.0 OUTLIER -61.03 -40.96 95.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.003 179.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.7 OUTLIER -59.5 -43.5 93.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 179.627 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 5.3 mt -66.14 -41.83 89.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.147 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.074 0.464 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.438 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.44 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.752 179.577 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.12 -39.92 91.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.487 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.91 -43.62 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.267 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.72 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 0.2 OUTLIER -68.19 -37.43 80.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.917 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.705 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.8 mttm -60.93 -42.86 98.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.691 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.563 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -63.21 -48.71 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 -179.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 34.1 mt -62.07 -34.72 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 111.229 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.462 ' HE ' ' HG2' ' C' ' 644' ' ' GLU . 4.2 tmm_? -66.38 -49.67 66.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.404 ' HG ' HH12 ' A' ' 648' ' ' ARG . 5.1 mt -56.47 -46.4 80.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.3 79.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' B' ' 652' ' ' GLN . 0.4 OUTLIER -61.99 -49.72 74.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.733 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.501 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.3 tt0 -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.15 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.23 -45.04 96.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' A' ' 658' ' ' ILE . 53.9 t -60.9 -39.36 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.69 -36.13 79.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -50.74 38.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.7 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.708 HG13 HD22 ' B' ' 662' ' ' LEU . 4.8 tt -63.29 -40.03 87.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.686 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.495 ' HD2' ' HB ' ' C' ' 658' ' ' ILE . 13.2 tttt -65.97 -44.03 86.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -48.01 80.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.06 81.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.352 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.695 HD22 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.56 -37.45 86.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.557 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -33.81 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 19.5 m -65.57 -44.74 85.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.444 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.856 ' N ' ' HB2' ' A' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.601 -0.199 . . . . 0.0 112.601 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.89 72.77 1.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 0.0 110.667 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.94 136.94 20.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.585 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -73.38 125.83 28.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.766 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.591 ' H ' ' HA ' ' A' ' 611' ' ' GLU . . . 96.97 -2.69 61.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.81 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.88 99.77 52.54 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.637 ' HB3' HH22 ' B' ' 613' ' ' ARG . 92.7 Cg_endo -85.93 166.14 9.97 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.593 2.195 . . . . 0.0 113.01 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.653 ' HE3' ' HA ' ' A' ' 604' ' ' SER . 0.2 OUTLIER -164.41 142.37 6.85 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.967 0.413 . . . . 0.0 111.459 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.89 106.21 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.635 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.671 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 9.6 mt-10 -139.51 -60.51 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.981 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.671 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.7 Cg_endo -74.84 101.02 1.41 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.474 2.116 . . . . 0.0 112.39 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.71 123.86 23.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -166.4 172.4 10.99 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.673 ' HA ' ' HE3' ' C' ' 598' ' ' LYS . 3.9 m -53.96 -41.26 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.431 ' HA ' HE21 ' C' ' 606' ' ' GLN . 9.3 t -63.9 -39.44 94.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.876 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 2.8 mm-40 -67.1 -35.42 79.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.859 ' HB2' ' N ' ' C' ' 591' ' ' GLY . . . -61.06 -44.53 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.806 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -56.83 -44.64 82.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.465 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 612' ' ' LEU . 0.2 OUTLIER -64.41 -34.97 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.22 58.59 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.144 0.497 . . . . 0.0 111.745 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.592 ' HA ' ' H ' ' C' ' 595' ' ' GLY . 1.7 tm-20 -56.2 -40.68 74.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.432 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 616' ' ' VAL . 72.4 mt -63.17 -40.33 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.637 HH22 ' HB3' ' B' ' 597' ' ' PRO . 15.6 ttm-85 -59.11 -40.78 86.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -46.47 81.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.634 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -67.42 -32.94 74.16 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 111.119 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 612' ' ' LEU . 41.7 t -63.36 -48.9 85.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -42.82 87.21 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.434 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.3 OUTLIER -65.37 -35.39 80.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.704 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.1 OUTLIER -64.82 -40.42 95.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.671 ' HA ' HD12 ' B' ' 623' ' ' ILE . 17.2 ttt180 -66.5 -40.25 89.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.93 -30.37 71.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' B' ' 619' ' ' LEU . 58.3 mt -67.74 -45.65 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.625 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.0 mt -66.2 -39.34 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.22 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.31 -47.21 87.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.238 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.52 -50.54 66.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.027 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.514 ' SD ' HG22 ' C' ' 623' ' ' ILE . 14.3 mtt -56.94 -40.19 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.571 ' HA ' HE22 ' A' ' 630' ' ' GLN . 4.5 tmtm? -63.05 -45.51 91.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.95 -37.49 81.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.57 ' HG3' ' HZ1' ' C' ' 631' ' ' LYS . 36.9 tp60 -68.02 -50.16 57.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.572 HE22 ' HA ' ' C' ' 627' ' ' LYS . 0.6 OUTLIER -60.71 -36.96 80.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.484 ' NZ ' ' HG3' ' A' ' 629' ' ' GLN . 6.3 mmtt -65.91 -39.67 90.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -61.75 -35.35 77.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.947 179.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' C' ' 634' ' ' ILE . 28.7 mt-10 -73.17 -38.6 66.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 111.865 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 633' ' ' GLU . 65.6 mt -64.67 -41.96 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.07 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' B' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.449 -179.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' B' ' 636' ' ' GLN . 0.0 OUTLIER -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.7 OUTLIER -59.6 -43.47 93.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.595 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 5.3 mt -66.13 -41.83 89.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 111.132 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 12.9 p -61.78 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.26 -42.09 99.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.36 -38.49 89.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.763 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.09 -39.9 91.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.543 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.408 ' O ' HG13 ' B' ' 647' ' ' ILE . 42.1 mm-40 -65.81 -43.7 87.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.282 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.721 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 0.2 OUTLIER -68.25 -37.46 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.72 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.8 mttm -60.81 -42.88 98.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -63.25 -48.66 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.627 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 643' ' ' GLU . 34.2 mt -62.16 -34.67 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.093 0.473 . . . . 0.0 111.211 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.453 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 4.2 tmm_? -66.43 -49.64 66.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.042 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.403 ' HG ' HH12 ' B' ' 648' ' ' ARG . 5.2 mt -56.47 -46.46 80.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.726 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.54 -35.34 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' C' ' 652' ' ' GLN . 0.4 OUTLIER -62.06 -49.65 75.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.714 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.3 tt0 -58.69 -37.5 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.14 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -40.23 93.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.246 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.2 -45.11 95.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.451 ' HA ' HG22 ' B' ' 658' ' ' ILE . 53.9 t -60.92 -39.31 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.156 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.62 -36.23 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -50.71 38.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.732 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.696 HG13 HD22 ' C' ' 662' ' ' LEU . 4.8 tt -63.28 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.512 ' HD2' ' HB ' ' A' ' 658' ' ' ILE . 13.1 tttt -65.94 -44.06 86.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -48.01 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.708 HD22 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -65.49 -37.5 87.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 179.517 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -33.85 49.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 19.8 m -65.56 -44.7 85.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.441 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.859 ' N ' ' HB2' ' B' ' 607' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.91 72.85 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.926 0.393 . . . . 0.0 110.635 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.96 136.9 20.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.652 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -73.4 125.8 28.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.714 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.592 ' H ' ' HA ' ' B' ' 611' ' ' GLU . . . 97.06 -2.77 61.73 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.766 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.83 99.77 52.47 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.646 ' HB3' HH22 ' C' ' 613' ' ' ARG . 92.8 Cg_endo -85.98 166.1 9.91 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.606 2.204 . . . . 0.0 112.98 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.673 ' HE3' ' HA ' ' B' ' 604' ' ' SER . 0.2 OUTLIER -164.35 142.39 6.95 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.049 0.452 . . . . 0.0 111.426 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.89 106.34 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.651 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 9.6 mt-10 -139.56 -60.51 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.951 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.651 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 68.3 Cg_endo -74.83 100.99 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.482 2.121 . . . . 0.0 112.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -71.72 123.88 23.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.357 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -166.46 172.33 10.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.376 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.683 ' HA ' ' HE3' ' A' ' 598' ' ' LYS . 3.9 m -54.01 -41.2 67.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.415 ' HA ' HE21 ' A' ' 606' ' ' GLN . 9.3 t -63.91 -39.43 94.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.907 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 2.8 mm-40 -67.1 -35.38 79.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.859 ' HB2' ' N ' ' A' ' 591' ' ' GLY . . . -61.05 -44.48 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -56.84 -44.68 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.425 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' B' ' 612' ' ' LEU . 0.2 OUTLIER -64.52 -34.89 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 -179.425 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.04 -53.24 58.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.091 0.472 . . . . 0.0 111.768 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.582 ' HA ' ' H ' ' A' ' 595' ' ' GLY . 1.7 tm-20 -56.17 -40.76 74.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.426 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.608 ' O ' HG23 ' C' ' 616' ' ' VAL . 72.7 mt -63.07 -40.44 97.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.116 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.646 HH22 ' HB3' ' C' ' 597' ' ' PRO . 15.8 ttm-85 -59.02 -40.82 86.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.066 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -46.58 80.96 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.588 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -67.24 -33.03 74.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -179.52 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.608 HG23 ' O ' ' C' ' 612' ' ' LEU . 42.0 t -63.29 -48.87 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -42.87 87.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.338 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.431 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.3 OUTLIER -65.41 -35.28 80.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.698 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.1 OUTLIER -65.01 -40.23 94.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.666 ' HA ' HD12 ' C' ' 623' ' ' ILE . 17.2 ttt180 -66.59 -40.24 88.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 10.0 t -63.88 -30.39 71.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.653 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' C' ' 619' ' ' LEU . 58.4 mt -67.69 -45.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.0 mt -66.21 -39.29 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.2 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.37 -47.09 87.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.243 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 p -64.63 -50.48 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 623' ' ' ILE . 14.3 mtt -57.03 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.572 ' HA ' HE22 ' B' ' 630' ' ' GLN . 4.4 tmtm? -63.03 -45.52 91.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.89 -37.6 81.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.537 ' HG3' ' HZ1' ' A' ' 631' ' ' LYS . 37.0 tp60 -67.93 -50.12 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.575 HE22 ' HA ' ' A' ' 627' ' ' LYS . 0.6 OUTLIER -60.84 -36.87 80.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.983 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.57 ' HZ1' ' HG3' ' B' ' 629' ' ' GLN . 6.4 mmtt -65.89 -39.76 90.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -61.65 -35.43 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.42 ' HB3' HG21 ' A' ' 634' ' ' ILE . 28.8 mt-10 -73.07 -38.67 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.02 0.438 . . . . 0.0 111.871 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' B' ' 633' ' ' GLU . 65.5 mt -64.63 -41.94 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.109 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' C' ' 631' ' ' LYS . 0.5 OUTLIER -60.41 -48.03 83.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.425 -179.513 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' C' ' 636' ' ' GLN . 0.0 OUTLIER -61.07 -40.87 95.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.99 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' A' ' 638' ' ' LEU . 0.7 OUTLIER -59.55 -43.47 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 5.3 mt -66.21 -41.75 89.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 12.8 p -61.86 -38.44 88.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.28 -42.01 98.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.429 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.2 OUTLIER -62.44 -38.44 89.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 179.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.13 -39.87 91.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.517 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.402 ' O ' HG13 ' C' ' 647' ' ' ILE . 42.0 mm-40 -65.98 -43.55 87.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.251 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.705 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 0.2 OUTLIER -68.28 -37.5 80.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.813 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.721 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.8 mttm -60.78 -42.84 98.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.742 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.558 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -63.27 -48.69 77.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.25 -179.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.402 HG13 ' O ' ' C' ' 643' ' ' GLU . 34.3 mt -62.02 -34.79 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.052 0.453 . . . . 0.0 111.193 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.447 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 4.2 tmm_? -66.4 -49.58 66.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.064 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.416 ' HG ' HH12 ' C' ' 648' ' ' ARG . 5.1 mt -56.59 -46.28 80.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -62.63 -35.35 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.05 -49.64 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.51 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.3 tt0 -58.79 -37.48 76.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -40.19 93.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.18 -45.15 95.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.49 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.452 ' HA ' HG22 ' C' ' 658' ' ' ILE . 53.7 t -60.84 -39.42 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.21 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -61.58 -36.19 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -50.78 38.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.736 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.695 HG13 HD22 ' A' ' 662' ' ' LEU . 4.8 tt -63.22 -40.05 87.57 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.69 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.513 ' HD2' ' HB ' ' B' ' 658' ' ' ILE . 13.2 tttt -65.94 -44.11 86.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -47.98 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.1 81.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.696 HD22 HG13 ' B' ' 658' ' ' ILE . 0.2 OUTLIER -65.53 -37.45 86.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -33.82 49.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 19.6 m -65.56 -44.76 85.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.451 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 9.1 pttt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.68 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.24 61.1 1.68 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.915 0.388 . . . . 0.0 110.625 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 2.4 ttt -130.94 124.94 32.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.621 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.701 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 11.4 mm-40 -69.17 124.39 23.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.68 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 597' ' ' PRO . . . 100.56 -20.42 48.36 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.782 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.93 105.07 16.88 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.605 ' HA ' ' HA ' ' C' ' 608' ' ' ALA . 92.9 Cg_endo -84.32 154.49 12.44 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.603 2.202 . . . . 0.0 112.943 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' C' ' 608' ' ' ALA . 2.8 mtpt -160.85 137.35 8.61 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.077 0.465 . . . . 0.0 111.426 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.98 108.89 8.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.595 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.718 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 8.4 mt-10 -138.87 -58.98 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 66.9 Cg_endo -73.93 103.31 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.535 2.157 . . . . 0.0 112.386 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.4 114.36 18.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.334 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.678 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -162.56 169.3 20.46 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.3 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.428 ' HB2' ' CD ' ' B' ' 601' ' ' PRO . 12.1 m -48.65 -36.2 15.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 609' ' ' VAL . 15.1 t -62.78 -52.07 64.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 601' ' ' PRO . 2.9 mm-40 -64.2 -33.69 76.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -58.61 -43.58 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.826 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -65.46 -39.49 92.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.367 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 605' ' ' SER . 4.0 t -63.2 -37.27 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.716 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 2.6 mt-10 -62.72 -41.0 98.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.175 0.512 . . . . 0.0 111.826 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.47 -38.95 93.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.425 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 616' ' ' VAL . 28.5 mt -64.75 -38.67 91.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 0.0 111.086 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.48 -39.15 89.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.005 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -45.99 88.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.621 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 619' ' ' LEU . 28.5 tt0 -71.78 -34.57 69.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.999 0.428 . . . . 0.0 111.14 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 612' ' ' LEU . 89.8 t -65.66 -48.34 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -49.38 72.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.328 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.99 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.5 ' CD1' ' HG2' ' A' ' 615' ' ' GLN . 0.0 OUTLIER -57.5 -43.42 84.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.042 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 624' ' ' GLU . 0.6 OUTLIER -60.63 -35.32 75.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . 0.684 ' O ' HG23 ' A' ' 625' ' ' THR . 9.3 t -68.12 -29.6 68.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.56 -34.78 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.623 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.494 HD11 HD23 ' C' ' 619' ' ' LEU . 2.0 mt -68.73 -43.05 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 6.7 mm-40 -67.17 -38.22 85.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 621' ' ' SER . 80.3 p -67.5 -53.21 30.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.488 ' SD ' ' HG3' ' B' ' 627' ' ' LYS . 26.9 mtt -61.19 -38.05 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 623' ' ' ILE . 0.7 OUTLIER -60.52 -43.45 97.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.032 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.92 -45.17 90.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.75 -40.21 75.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.809 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.56 70.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 10.1 mmtm -67.23 -36.91 82.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -46.72 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.006 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' B' ' 634' ' ' ILE . 20.9 mt-10 -64.95 -36.9 85.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 111.918 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' C' ' 633' ' ' GLU . 40.4 mt -66.32 -43.67 91.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.065 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -43.1 95.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.431 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 638' ' ' LEU . 0.5 OUTLIER -62.5 -30.19 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.776 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.468 ' HA ' HD21 ' C' ' 637' ' ' LEU . 3.1 mt -68.4 -45.4 72.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -63.77 -36.87 85.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.445 ' OE2' HD22 ' B' ' 641' ' ' LEU . 1.0 OUTLIER -64.18 -39.35 93.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.088 0.47 . . . . 0.0 110.872 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.51 -41.33 84.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.782 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.17 -34.85 79.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.468 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 639' ' ' SER . 41.1 mm-40 -61.94 -50.52 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.562 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 3.1 tt0 -64.44 -33.52 76.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.56 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 1.1 mttm -60.95 -45.56 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.732 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 646' ' ' LYS . 0.0 OUTLIER -62.03 -45.78 92.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.48 -39.43 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 121.103 0.478 . . . . 0.0 111.153 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.519 HH21 ' HA ' ' C' ' 644' ' ' GLU . 4.4 tmm_? -64.68 -40.8 96.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.041 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -47.77 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -63.19 -35.73 81.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.658 HD21 HG21 ' B' ' 655' ' ' VAL . 2.7 tt -60.04 -50.95 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.469 ' N ' HD11 ' C' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.1 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.141 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 54.8 mmm -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.39 -39.96 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.517 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.671 HG21 HD21 ' C' ' 651' ' ' LEU . 5.4 t -65.11 -38.84 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.247 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.411 HD22 ' HA ' ' A' ' 656' ' ' ASN . 11.0 m120 -66.65 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.02 -51.79 59.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.47 ' HB ' ' HE3' ' B' ' 659' ' ' LYS . 2.4 tt -64.57 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.671 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.485 ' HE3' ' HB ' ' C' ' 658' ' ' ILE . 0.1 OUTLIER -66.23 -44.76 82.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.812 0.339 . . . . 0.0 111.042 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -49.21 78.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.91 71.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.369 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.447 HD13 HG13 ' C' ' 658' ' ' ILE . 0.5 OUTLIER -68.77 -41.81 78.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.533 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.43 60.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.59 -27.88 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.028 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.678 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.18 60.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 2.4 ttt -130.92 125.02 32.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.632 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.716 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 11.4 mm-40 -69.17 124.41 23.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.703 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.459 ' O ' ' HD3' ' B' ' 597' ' ' PRO . . . 100.51 -20.4 48.53 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.806 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.9 105.05 16.69 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' A' ' 608' ' ' ALA . 92.5 Cg_endo -84.26 154.4 12.54 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.626 2.218 . . . . 0.0 112.965 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.531 ' O ' ' HB2' ' A' ' 608' ' ' ALA . 2.8 mtpt -160.78 137.37 8.7 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.061 0.458 . . . . 0.0 111.382 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.01 108.93 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.704 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 8.4 mt-10 -138.84 -59.04 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.704 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.3 Cg_endo -73.83 103.31 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.473 2.115 . . . . 0.0 112.391 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.44 114.41 18.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.355 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.67 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -162.62 169.18 20.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.307 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.432 ' HB2' ' CD ' ' C' ' 601' ' ' PRO . 11.9 m -48.5 -36.2 14.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.237 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 609' ' ' VAL . 14.9 t -62.84 -52.09 64.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' B' ' 601' ' ' PRO . 2.8 mm-40 -64.14 -33.79 76.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -58.6 -43.55 89.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.785 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -65.46 -39.49 92.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.407 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 605' ' ' SER . 4.0 t -63.23 -37.19 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.695 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 2.6 mt-10 -62.88 -40.98 99.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.171 0.51 . . . . 0.0 111.754 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.33 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.476 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.834 ' O ' HG23 ' B' ' 616' ' ' VAL . 28.6 mt -64.79 -38.59 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 111.154 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 613' ' ' ARG . 13.7 ttm180 -61.6 -39.1 90.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.001 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -45.92 88.9 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.632 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' B' ' 619' ' ' LEU . 28.4 tt0 -71.79 -34.57 69.52 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 612' ' ' LEU . 90.1 t -65.65 -48.4 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -49.39 72.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.367 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -35.94 80.85 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.951 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' B' ' 615' ' ' GLN . 0.0 OUTLIER -57.56 -43.42 84.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' B' ' 624' ' ' GLU . 0.6 OUTLIER -60.6 -35.39 76.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.69 ' O ' HG23 ' B' ' 625' ' ' THR . 9.2 t -68.08 -29.61 68.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.597 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.53 -34.81 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.606 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 619' ' ' LEU . 2.0 mt -68.67 -43.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 6.7 mm-40 -67.22 -38.24 84.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.223 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 621' ' ' SER . 79.6 p -67.4 -53.27 30.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.078 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.482 ' SD ' ' HG3' ' C' ' 627' ' ' LYS . 26.9 mtt -61.1 -38.15 85.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.488 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 0.7 OUTLIER -60.46 -43.44 96.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -63.82 -45.25 90.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -56.82 -40.17 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -37.54 70.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.973 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 10.2 mmtm -67.11 -36.95 83.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -46.73 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.914 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.413 ' HB3' HG21 ' C' ' 634' ' ' ILE . 20.9 mt-10 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.819 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 633' ' ' GLU . 40.7 mt -66.22 -43.74 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.045 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -43.2 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.411 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.955 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' C' ' 638' ' ' LEU . 0.5 OUTLIER -62.61 -30.06 71.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.772 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.483 ' HA ' HD21 ' A' ' 637' ' ' LEU . 3.1 mt -68.46 -45.37 72.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -63.78 -36.87 85.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 179.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.447 ' OE2' HD22 ' C' ' 641' ' ' LEU . 1.0 OUTLIER -64.19 -39.36 93.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.666 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -67.46 -41.4 84.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.763 179.6 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.12 -34.96 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.441 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 639' ' ' SER . 41.1 mm-40 -61.92 -50.47 72.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.243 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.58 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 3.1 tt0 -64.55 -33.35 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.562 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 1.1 mttm -61.05 -45.54 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.712 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' B' ' 646' ' ' LYS . 0.0 OUTLIER -61.99 -45.86 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.47 -39.37 85.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 111.192 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.516 HH21 ' HA ' ' A' ' 644' ' ' GLU . 4.3 tmm_? -64.69 -40.86 96.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -47.94 83.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.05 -35.81 81.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.665 HD21 HG21 ' C' ' 655' ' ' VAL . 2.7 tt -60.02 -50.97 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.738 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.474 ' N ' HD11 ' A' ' 651' ' ' LEU . 1.6 tt0 -57.65 -37.05 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 55.1 mmm -64.91 -34.72 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 111.308 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.4 -39.98 85.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.468 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 651' ' ' LEU . 5.5 t -65.16 -38.87 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.143 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . 0.402 ' HA ' HD22 ' B' ' 656' ' ' ASN . 10.9 m120 -66.67 -35.2 79.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.06 -51.77 59.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.484 ' HB ' ' HE3' ' C' ' 659' ' ' LYS . 2.4 tt -64.61 -29.35 47.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.664 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.47 ' HE3' ' HB ' ' A' ' 658' ' ' ILE . 0.1 OUTLIER -66.2 -44.79 82.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -49.31 78.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.87 71.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.373 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.457 HD13 HG13 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -68.8 -41.79 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -28.5 59.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.57 -27.8 68.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.028 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.67 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.3 61.01 1.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 110.638 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 2.5 ttt -130.9 125.03 32.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.63 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.695 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 11.4 mm-40 -69.15 124.37 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.692 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.45 ' O ' ' HD3' ' C' ' 597' ' ' PRO . . . 100.54 -20.34 48.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.802 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 105.12 17.32 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.567 -0.16 . . . . 0.0 110.567 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.597 ' HA ' ' HA ' ' B' ' 608' ' ' ALA . 91.9 Cg_endo -84.23 154.43 12.6 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.65 2.233 . . . . 0.0 112.992 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' B' ' 608' ' ' ALA . 2.8 mtpt -160.82 137.36 8.65 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.011 0.434 . . . . 0.0 111.469 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.98 108.93 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.723 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 8.4 mt-10 -138.9 -59.07 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.723 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 67.5 Cg_endo -73.88 103.37 1.64 Allowed 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.441 2.094 . . . . 0.0 112.411 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.47 114.39 18.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.68 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -162.62 169.08 20.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.329 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.433 ' HB2' ' CD ' ' A' ' 601' ' ' PRO . 11.7 m -48.39 -36.23 14.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.27 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.541 ' O ' HG23 ' C' ' 609' ' ' VAL . 15.0 t -62.9 -51.98 64.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' C' ' 601' ' ' PRO . 2.8 mm-40 -64.18 -33.84 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -58.51 -43.57 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.605 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -65.55 -39.35 91.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.421 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.541 HG23 ' O ' ' C' ' 605' ' ' SER . 4.0 t -63.24 -37.28 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.701 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 2.6 mt-10 -62.76 -41.01 99.02 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.175 0.512 . . . . 0.0 111.793 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.45 -38.92 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.398 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.848 ' O ' HG23 ' C' ' 616' ' ' VAL . 28.7 mt -64.75 -38.62 91.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.198 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' C' ' 613' ' ' ARG . 13.6 ttm180 -61.51 -39.18 90.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.89 89.11 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.684 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.503 ' HG2' ' CD1' ' C' ' 619' ' ' LEU . 28.5 tt0 -71.84 -34.49 69.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.97 0.414 . . . . 0.0 111.166 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.848 HG23 ' O ' ' C' ' 612' ' ' LEU . 89.3 t -65.76 -48.29 82.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -36.01 80.8 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.023 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.503 ' CD1' ' HG2' ' C' ' 615' ' ' GLN . 0.0 OUTLIER -57.57 -43.43 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' C' ' 624' ' ' GLU . 0.6 OUTLIER -60.54 -35.35 75.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.031 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . 0.698 ' O ' HG23 ' C' ' 625' ' ' THR . 9.3 t -68.13 -29.62 68.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.593 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.51 -34.77 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.696 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' C' ' 627' ' ' LYS . 2.1 mt -68.73 -43.04 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 6.7 mm-40 -67.19 -38.14 84.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.698 HG23 ' O ' ' C' ' 621' ' ' SER . 80.4 p -67.53 -53.33 29.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.477 ' SD ' ' HG3' ' A' ' 627' ' ' LYS . 26.9 mtt -61.09 -38.07 84.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' C' ' 623' ' ' ILE . 0.8 OUTLIER -60.52 -43.48 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -63.83 -45.25 90.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -56.78 -40.19 75.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.781 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -37.58 71.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 10.1 mmtm -67.16 -36.93 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -46.74 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.424 ' HB3' HG21 ' A' ' 634' ' ' ILE . 20.9 mt-10 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.051 0.453 . . . . 0.0 111.864 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' B' ' 633' ' ' GLU . 40.6 mt -66.25 -43.76 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.055 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -43.28 95.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.417 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -42.74 99.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 638' ' ' LEU . 0.5 OUTLIER -62.55 -30.16 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.714 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 637' ' ' LEU . 3.1 mt -68.44 -45.4 72.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.109 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -63.73 -36.85 85.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.75 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.452 ' OE2' HD22 ' A' ' 641' ' ' LEU . 1.0 OUTLIER -64.16 -39.42 93.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.666 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -67.4 -41.36 85.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.829 179.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.2 -34.88 79.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.453 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' C' ' 639' ' ' SER . 41.0 mm-40 -61.91 -50.55 71.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.206 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.56 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 3.1 tt0 -64.5 -33.43 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.58 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 1.1 mttm -60.98 -45.52 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.505 ' HA ' ' HE2' ' C' ' 646' ' ' LYS . 0.0 OUTLIER -62.0 -45.84 91.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 27.0 mt -64.46 -39.36 85.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 111.216 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.526 HH21 ' HA ' ' B' ' 644' ' ' GLU . 4.3 tmm_? -64.67 -40.78 96.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -47.88 84.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -63.17 -35.79 81.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.671 HD21 HG21 ' A' ' 655' ' ' VAL . 2.7 tt -59.99 -50.97 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.468 ' N ' HD11 ' B' ' 651' ' ' LEU . 1.6 tt0 -57.59 -37.04 72.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.174 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 54.6 mmm -64.99 -34.7 79.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.47 -39.83 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.511 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.665 HG21 HD21 ' B' ' 651' ' ' LEU . 5.5 t -65.25 -38.82 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' C' ' 656' ' ' ASN . 10.9 m120 -66.65 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.97 -51.92 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.485 ' HB ' ' HE3' ' A' ' 659' ' ' LYS . 2.4 tt -64.53 -29.37 47.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.681 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.484 ' HE3' ' HB ' ' B' ' 658' ' ' ILE . 0.1 OUTLIER -66.15 -44.75 83.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.057 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -49.21 78.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.88 71.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.445 HD13 HG13 ' B' ' 658' ' ' ILE . 0.5 OUTLIER -68.84 -41.75 78.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -28.48 60.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.2 m -66.56 -27.89 68.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 2.9 pttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.075 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.705 ' N ' ' C ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.68 53.48 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.647 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.482 ' HB3' ' HE3' ' A' ' 596' ' ' LYS . 6.2 ttt -118.48 126.36 51.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.571 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.536 ' OE1' HG23 ' C' ' 614' ' ' THR . 16.5 mm-40 -71.65 130.58 41.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.713 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.66 -14.22 65.5 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.781 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 593' ' ' MET . 0.9 OUTLIER -109.65 105.36 57.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.559 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.5 Cg_endo -84.89 159.01 11.82 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.587 2.191 . . . . 0.0 113.021 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.683 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 0.0 OUTLIER -152.71 134.02 14.33 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.052 0.453 . . . . 0.0 111.439 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.13 102.22 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.584 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.677 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 0.9 OUTLIER -130.95 -60.71 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.992 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.677 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 67.2 Cg_endo -73.69 119.09 5.73 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.447 2.098 . . . . 0.0 112.417 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -92.01 72.38 5.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.336 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.71 ' C ' ' N ' ' B' ' 591' ' ' GLY . . . -118.11 171.06 8.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.328 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -33.67 55.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 609' ' ' VAL . 2.0 t -65.58 -43.57 89.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.912 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.743 ' OE1' ' HA ' ' A' ' 606' ' ' GLN . 0.0 OUTLIER -69.93 -32.39 70.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.674 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -58.88 -45.37 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.776 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.463 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 605' ' ' SER . 34.6 t -63.36 -41.2 91.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.56 -43.18 99.45 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.145 0.498 . . . . 0.0 111.811 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.586 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 1.0 OUTLIER -58.97 -44.06 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.408 179.403 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' B' ' 613' ' ' ARG . 34.5 mt -63.84 -34.94 79.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.474 HH22 ' HB3' ' A' ' 597' ' ' PRO . 16.2 ttm-85 -62.45 -44.01 97.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.533 HG23 ' OE1' ' B' ' 594' ' ' GLU . 0.2 OUTLIER -61.0 -48.15 83.16 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.567 179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.401 ' HG3' ' CZ ' ' B' ' 620' ' ' ARG . 2.1 tt0 -67.58 -38.14 83.63 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.977 0.417 . . . . 0.0 111.15 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 612' ' ' LEU . 11.0 t -61.48 -49.66 83.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.416 ' NH1' ' HG3' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -64.0 -46.36 84.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.362 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -30.49 71.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.994 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.516 ' HG ' ' HG3' ' B' ' 620' ' ' ARG . 0.0 OUTLIER -62.14 -48.75 78.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.037 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.931 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -63.41 -44.74 93.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -37.17 70.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.667 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.624 HG22 ' SD ' ' A' ' 626' ' ' MET . 56.3 mt -68.46 -40.88 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.554 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 620' ' ' ARG . 7.8 mt -61.67 -41.82 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.216 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 620' ' ' ARG . 9.4 mm-40 -61.72 -42.51 99.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -44.42 96.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.976 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.624 ' SD ' HG22 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.429 ' HD3' HE22 ' C' ' 630' ' ' GLN . 5.3 tmtm? -65.45 -45.87 82.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.79 -27.1 60.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.7 65.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.442 ' HB3' ' HG2' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -68.66 -36.06 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.427 ' HD3' ' HA ' ' A' ' 631' ' ' LYS . 8.4 mmtt -62.93 -48.33 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 632' ' ' ARG . 0.0 OUTLIER -62.63 -37.05 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.025 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.54 -43.13 85.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.061 0.458 . . . . 0.0 111.89 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.502 HG23 HD12 ' C' ' 637' ' ' LEU . 55.4 mt -66.45 -32.93 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.078 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.848 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.0 OUTLIER -65.1 -44.39 88.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.492 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -38.01 86.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.481 HD12 HG23 ' B' ' 634' ' ' ILE . 0.4 OUTLIER -63.98 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 635' ' ' LYS . 2.2 mt -62.88 -48.73 77.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.6 -32.05 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.432 ' HB3' HD13 ' B' ' 641' ' ' LEU . 11.6 tt0 -68.27 -41.48 80.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 110.937 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.3 OUTLIER -66.34 -39.25 89.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.756 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.34 -46.67 89.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.509 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.26 -44.28 88.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.25 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.592 ' HG3' ' HG2' ' B' ' 645' ' ' LYS . 2.3 tt0 -70.33 -33.0 70.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.587 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 2.7 mttt -64.6 -46.91 80.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -45.04 95.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.44 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 121.079 0.466 . . . . 0.0 111.227 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.41 HH12 ' HG ' ' A' ' 649' ' ' LEU . 0.9 OUTLIER -68.1 -38.38 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.043 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.41 ' HG ' HH12 ' A' ' 648' ' ' ARG . 1.3 mt -63.94 -44.34 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.34 -28.74 68.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.675 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 655' ' ' VAL . 0.3 OUTLIER -63.7 -50.09 70.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.556 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.5 tt0 -60.83 -40.66 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.203 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 32.5 mmm -61.72 -39.04 90.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.331 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.469 ' O ' HG22 ' A' ' 658' ' ' ILE . 48.0 tt0 -66.11 -37.4 85.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.522 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 651' ' ' LEU . 11.7 t -70.05 -38.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.162 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 656' ' ' ASN . 1.7 m120 -64.65 -42.34 95.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.06 -51.47 67.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 1.008 HG13 HD22 ' B' ' 662' ' ' LEU . 13.6 tt -65.8 -30.88 51.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.718 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.689 ' HA ' HD12 ' C' ' 658' ' ' ILE . 3.6 tttt -67.95 -40.31 83.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -37.73 88.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.431 ' HB3' HD21 ' B' ' 662' ' ' LEU . . . -70.93 -39.82 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.362 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 1.049 HD22 HG13 ' C' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -26.58 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -46.2 65.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.71 ' N ' ' C ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 53.4 1.51 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.924 0.392 . . . . 0.0 110.684 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . 0.486 ' HB3' ' HE3' ' B' ' 596' ' ' LYS . 6.2 ttt -118.42 126.36 51.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.673 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.533 ' OE1' HG23 ' A' ' 614' ' ' THR . 16.5 mm-40 -71.71 130.62 41.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 110.678 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.65 -14.22 65.49 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.786 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.486 ' HE3' ' HB3' ' B' ' 593' ' ' MET . 0.9 OUTLIER -109.61 105.4 57.15 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.586 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 93.1 Cg_endo -84.95 158.95 11.72 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.559 2.173 . . . . 0.0 113.015 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 0.0 OUTLIER -152.66 134.0 14.36 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.096 0.474 . . . . 0.0 111.442 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.13 102.28 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.565 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.695 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 0.9 OUTLIER -130.98 -60.77 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.983 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.695 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 68.4 Cg_endo -73.62 119.04 5.72 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.42 2.08 . . . . 0.0 112.43 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -91.99 72.42 5.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.401 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.706 ' C ' ' N ' ' C' ' 591' ' ' GLY . . . -118.12 171.07 8.35 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.338 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.47 -33.66 55.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.529 ' O ' HG23 ' B' ' 609' ' ' VAL . 2.0 t -65.57 -43.54 89.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.968 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.728 ' HA ' ' OE1' ' B' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -58.87 -45.35 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.807 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -64.62 -34.78 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.477 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 605' ' ' SER . 34.4 t -63.37 -41.15 91.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.58 -43.18 99.46 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.102 0.477 . . . . 0.0 111.793 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.561 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 1.0 OUTLIER -59.1 -43.89 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.519 179.385 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' C' ' 613' ' ' ARG . 34.5 mt -63.86 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.127 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.498 HH22 ' HB3' ' B' ' 597' ' ' PRO . 16.2 ttm-85 -62.44 -44.03 97.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.541 HG23 ' OE1' ' C' ' 594' ' ' GLU . 0.2 OUTLIER -61.04 -48.08 83.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.65 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.402 ' HG3' ' CZ ' ' C' ' 620' ' ' ARG . 2.1 tt0 -67.59 -38.1 83.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 612' ' ' LEU . 11.0 t -61.53 -49.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -64.1 -46.34 84.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.308 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -30.58 71.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.523 ' HG ' ' HG3' ' C' ' 620' ' ' ARG . 0.0 OUTLIER -62.13 -48.74 78.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.943 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -63.43 -44.75 93.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -37.28 70.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.639 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.626 HG22 ' SD ' ' B' ' 626' ' ' MET . 56.4 mt -68.4 -40.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.048 0.452 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' B' ' 620' ' ' ARG . 7.8 mt -61.65 -41.8 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 620' ' ' ARG . 9.5 mm-40 -61.68 -42.48 98.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.266 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -44.34 97.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.017 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.626 ' SD ' HG22 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -69.16 -29.48 67.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.42 ' HD3' HE22 ' A' ' 630' ' ' GLN . 5.3 tmtm? -65.42 -45.91 82.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.77 -27.08 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.79 65.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.754 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.44 ' HB3' ' HG2' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -68.66 -35.94 77.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.054 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 8.4 mmtt -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.441 ' N ' ' HD2' ' B' ' 632' ' ' ARG . 0.0 OUTLIER -62.66 -37.04 84.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.007 179.714 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.5 -43.11 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.057 0.456 . . . . 0.0 111.943 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.481 HG23 HD12 ' A' ' 637' ' ' LEU . 55.4 mt -66.44 -32.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.866 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.0 OUTLIER -65.05 -44.48 88.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.461 -179.561 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -37.97 85.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.498 HD12 HG23 ' C' ' 634' ' ' ILE . 0.4 OUTLIER -64.07 -38.71 92.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' B' ' 635' ' ' LYS . 2.2 mt -62.82 -48.76 77.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 23.2 p -60.54 -32.12 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.437 ' HB3' HD13 ' C' ' 641' ' ' LEU . 11.7 tt0 -68.36 -41.54 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.3 OUTLIER -66.2 -39.3 89.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.768 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.36 -46.65 89.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.499 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -44.31 88.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.269 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.611 ' HG3' ' HG2' ' C' ' 645' ' ' LYS . 2.3 tt0 -70.29 -33.01 71.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.592 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 2.7 mttt -64.63 -46.94 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.09 95.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -65.42 -35.32 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 111.168 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.412 HH12 ' HG ' ' B' ' 649' ' ' LEU . 0.9 OUTLIER -68.12 -38.35 82.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.058 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.412 ' HG ' HH12 ' B' ' 648' ' ' ARG . 1.3 mt -64.04 -44.32 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.31 -28.79 68.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.693 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 655' ' ' VAL . 0.3 OUTLIER -63.58 -50.16 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.55 ' HA ' HD21 ' A' ' 651' ' ' LEU . 2.5 tt0 -60.86 -40.65 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.173 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 32.6 mmm -61.69 -39.08 90.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.358 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.482 ' O ' HG22 ' B' ' 658' ' ' ILE . 47.9 tt0 -66.07 -37.45 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.509 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 651' ' ' LEU . 11.7 t -70.04 -38.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 111.162 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' B' ' 656' ' ' ASN . 1.7 m120 -64.56 -42.42 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.05 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 1.046 HG13 HD22 ' C' ' 662' ' ' LEU . 13.6 tt -65.76 -30.95 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.66 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 658' ' ' ILE . 3.6 tttt -67.9 -40.36 83.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.79 88.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' C' ' 662' ' ' LEU . . . -70.89 -39.79 72.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.332 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 1.008 HD22 HG13 ' A' ' 658' ' ' ILE . 2.3 tp -66.28 -33.63 76.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.61 35.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.99 -46.11 65.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.706 ' N ' ' C ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.604 -0.199 . . . . 0.0 112.604 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.69 53.41 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.012 0.434 . . . . 0.0 110.719 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . 0.489 ' HB3' ' HE3' ' C' ' 596' ' ' LYS . 6.2 ttt -118.48 126.4 51.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.602 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.541 ' OE1' HG23 ' B' ' 614' ' ' THR . 16.5 mm-40 -71.63 130.62 41.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.771 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.62 -14.22 65.47 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.774 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.489 ' HE3' ' HB3' ' C' ' 593' ' ' MET . 0.9 OUTLIER -109.63 105.38 57.12 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 179.821 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.561 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 93.4 Cg_endo -84.94 159.0 11.74 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.577 2.184 . . . . 0.0 112.962 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.696 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 0.0 OUTLIER -152.69 134.0 14.34 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.034 0.445 . . . . 0.0 111.433 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.14 102.2 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.622 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.694 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 0.9 OUTLIER -130.98 -60.65 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.959 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.694 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 68.3 Cg_endo -73.69 119.06 5.72 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.501 2.134 . . . . 0.0 112.408 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -91.99 72.44 5.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.369 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.705 ' C ' ' N ' ' A' ' 591' ' ' GLY . . . -118.15 171.01 8.4 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.335 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -33.56 54.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.521 ' O ' HG23 ' C' ' 609' ' ' VAL . 2.0 t -65.66 -43.57 88.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.733 ' HA ' ' OE1' ' C' ' 606' ' ' GLN . 0.0 OUTLIER -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -58.81 -45.37 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -64.64 -34.75 79.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.521 HG23 ' O ' ' C' ' 605' ' ' SER . 34.5 t -63.42 -41.1 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.72 -43.04 99.82 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.147 0.499 . . . . 0.0 111.746 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.559 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 1.0 OUTLIER -59.1 -43.9 91.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.433 179.409 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.471 HD21 ' HG3' ' A' ' 613' ' ' ARG . 34.4 mt -63.9 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.107 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.478 HH22 ' HB3' ' C' ' 597' ' ' PRO . 16.2 ttm-85 -62.48 -44.04 97.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.02 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.536 HG23 ' OE1' ' A' ' 594' ' ' GLU . 0.2 OUTLIER -60.96 -48.03 83.68 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.686 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.66 -38.09 83.29 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.109 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.435 HG23 ' O ' ' C' ' 612' ' ' LEU . 10.8 t -61.59 -49.56 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -64.06 -46.42 84.44 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.321 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.533 ' HG ' ' HG3' ' A' ' 620' ' ' ARG . 0.0 OUTLIER -62.08 -48.81 78.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.923 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -63.42 -44.75 93.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.15 70.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.634 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.618 HG22 ' SD ' ' C' ' 626' ' ' MET . 56.0 mt -68.51 -40.83 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.61 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' C' ' 620' ' ' ARG . 7.8 mt -61.66 -41.87 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' C' ' 620' ' ' ARG . 9.6 mm-40 -61.7 -42.51 99.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.193 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -44.46 96.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.998 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.618 ' SD ' HG22 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -69.13 -29.48 67.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.433 ' HD3' HE22 ' B' ' 630' ' ' GLN . 5.3 tmtm? -65.5 -45.74 82.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -73.86 -27.09 60.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.016 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.73 -48.75 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.773 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.442 ' HG2' ' HB3' ' A' ' 630' ' ' GLN . 0.0 OUTLIER -68.6 -36.05 78.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' C' ' 631' ' ' LYS . 8.4 mmtt -62.96 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -62.58 -37.12 84.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.974 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.55 -43.11 85.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.929 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.498 HG23 HD12 ' B' ' 637' ' ' LEU . 55.5 mt -66.34 -32.91 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.18 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.838 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.0 OUTLIER -65.17 -44.47 88.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.393 -179.51 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -38.0 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.502 HD12 HG23 ' A' ' 634' ' ' ILE . 0.4 OUTLIER -64.06 -38.66 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' C' ' 635' ' ' LYS . 2.2 mt -62.86 -48.78 77.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 23.4 p -60.6 -32.02 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.426 ' HB3' HD13 ' A' ' 641' ' ' LEU . 11.6 tt0 -68.33 -41.53 80.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.3 OUTLIER -66.27 -39.2 89.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.818 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.42 -46.65 89.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.496 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -58.23 -44.3 88.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.277 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.587 ' HG3' ' HG2' ' A' ' 645' ' ' LYS . 2.3 tt0 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.611 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 2.7 mttt -64.71 -46.9 80.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.11 95.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.256 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 18.9 mt -65.42 -35.3 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.059 0.457 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.409 HH12 ' HG ' ' C' ' 649' ' ' LEU . 0.9 OUTLIER -68.16 -38.3 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.044 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.409 ' HG ' HH12 ' C' ' 648' ' ' ARG . 1.3 mt -64.03 -44.37 92.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -67.28 -28.8 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.667 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.685 ' O ' HG23 ' C' ' 655' ' ' VAL . 0.3 OUTLIER -63.58 -50.14 70.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.767 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.561 ' HA ' HD21 ' B' ' 651' ' ' LEU . 2.6 tt0 -60.87 -40.66 93.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 32.6 mmm -61.7 -38.98 89.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.475 ' O ' HG22 ' C' ' 658' ' ' ILE . 48.0 tt0 -66.19 -37.31 85.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.536 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.685 HG23 ' O ' ' C' ' 651' ' ' LEU . 11.7 t -70.09 -38.21 74.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.133 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . 0.496 HD22 ' HA ' ' C' ' 656' ' ' ASN . 1.7 m120 -64.64 -42.36 95.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.1 -51.46 67.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.785 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 1.049 HG13 HD22 ' A' ' 662' ' ' LEU . 13.5 tt -65.8 -30.97 51.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.614 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' B' ' 658' ' ' ILE . 3.6 tttt -67.88 -40.29 83.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -37.74 88.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 662' ' ' LEU . . . -70.89 -39.8 72.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.341 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 1.046 HD22 HG13 ' B' ' 658' ' ' ILE . 2.3 tp -66.27 -33.58 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -26.57 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -46.31 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 64.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.956 0.408 . . . . 0.0 110.723 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttt -140.64 127.57 20.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.619 -179.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.544 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 46.9 mm-40 -65.83 129.66 40.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.724 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.487 ' HA2' ' HG2' ' C' ' 611' ' ' GLU . . . 85.39 5.01 85.53 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.779 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.83 98.1 36.53 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.581 ' HD3' ' HG3' ' C' ' 611' ' ' GLU . 92.7 Cg_endo -84.37 155.3 12.46 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.547 2.165 . . . . 0.0 112.994 -179.573 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' C' ' 607' ' ' ALA . 1.4 mtpt -153.52 125.44 7.82 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.075 0.464 . . . . 0.0 111.412 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.2 107.25 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.576 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.679 ' HB3' ' HD3' ' A' ' 601' ' ' PRO . 0.0 OUTLIER -139.47 -66.06 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.925 179.9 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 600' ' ' GLU . 67.0 Cg_endo -73.67 136.77 23.9 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.47 2.113 . . . . 0.0 112.443 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -100.72 59.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.368 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.667 ' O ' ' N ' ' B' ' 591' ' ' GLY . . . -96.12 164.2 12.79 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.321 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.55 ' HA ' ' HE2' ' B' ' 598' ' ' LYS . 0.1 OUTLIER -58.15 -37.84 75.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -179.675 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.448 ' HB2' ' HG2' ' B' ' 606' ' ' GLN . 4.7 t -63.05 -39.21 94.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.425 ' HG2' ' HB2' ' C' ' 605' ' ' SER . 0.0 OUTLIER -68.47 -29.35 67.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.571 ' HB3' ' HB2' ' B' ' 598' ' ' LYS . . . -64.87 -37.22 86.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' B' ' 597' ' ' PRO . . . -65.99 -35.27 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.447 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 609' ' ' VAL . 0.4 OUTLIER -69.19 -35.65 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 -179.569 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.525 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 3.7 mt-10 -64.57 -42.18 95.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.218 0.532 . . . . 0.0 111.745 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.58 ' HG3' ' HD3' ' B' ' 597' ' ' PRO . 1.0 OUTLIER -61.4 -43.76 98.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.425 179.488 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' B' ' 613' ' ' ARG . 12.2 mt -63.89 -33.91 76.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 111.109 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.458 ' HG3' HD21 ' C' ' 612' ' ' LEU . 40.9 ttm-85 -60.47 -49.48 77.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -48.09 83.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.682 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.91 -45.81 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -63.56 -45.05 92.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.288 -179.736 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.446 ' O ' HG13 ' A' ' 622' ' ' ILE . 0.0 OUTLIER -64.91 -32.12 73.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.044 179.653 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.479 ' HB3' ' CD2' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.71 -47.49 80.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.8 OUTLIER -64.06 -37.76 88.61 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 618' ' ' GLU . 75.7 mt -65.69 -44.05 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.615 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 620' ' ' ARG . 3.9 mt -65.78 -43.69 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.201 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.5 80.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -42.34 93.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.055 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.53 -35.45 80.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -64.39 -45.86 85.84 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.21 -42.32 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.59 -38.9 89.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -41.14 65.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 631' ' ' LYS . 10.4 mmtt -62.27 -43.02 99.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.19 85.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.044 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.729 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.5 mt-10 -65.47 -43.67 89.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.044 0.45 . . . . 0.0 111.956 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' C' ' 633' ' ' GLU . 7.1 mt -70.22 -40.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -46.09 89.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.471 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -41.15 99.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.712 HD12 HG23 ' B' ' 634' ' ' ILE . 0.8 OUTLIER -57.2 -40.73 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.633 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.4 mt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.33 -40.86 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -62.68 -47.17 84.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.021 0.439 . . . . 0.0 110.836 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.483 ' CB ' HD11 ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.77 81.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.799 179.581 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.482 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.67 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.57 95.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.24 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.503 ' HG2' ' HE ' ' B' ' 648' ' ' ARG . 1.3 tt0 -70.95 -32.41 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.05 -45.87 90.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.46 ' HG3' ' HD2' ' A' ' 650' ' ' ARG . 0.1 OUTLIER -65.38 -41.12 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.67 HG13 ' O ' ' A' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.105 0.479 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.492 ' HE ' ' HG2' ' C' ' 644' ' ' GLU . 3.1 tmm_? -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.099 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -50.58 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.46 ' HD2' ' HG3' ' A' ' 646' ' ' LYS . 3.4 mtp180 -62.65 -31.34 72.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.663 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' B' ' 652' ' ' GLN . 0.1 OUTLIER -62.72 -48.36 79.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.665 ' HB2' HD11 ' C' ' 651' ' ' LEU . 5.0 tt0 -60.85 -34.41 74.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mmm -68.98 -31.61 70.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 658' ' ' ILE . 57.2 tt0 -70.01 -39.78 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 651' ' ' LEU . 9.1 t -68.86 -39.11 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.75 -40.65 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 659' ' ' LYS . 5.8 tt -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.0 OUTLIER -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.85 83.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.66 88.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.35 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.676 ' HA ' ' HD3' ' A' ' 665' ' ' LYS . 1.1 tt -70.72 -18.31 62.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.62 30.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.56 -34.81 40.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.676 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.129 -0.938 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.667 ' N ' ' O ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 64.28 1.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.925 0.393 . . . . 0.0 110.631 179.906 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttt -140.71 127.62 20.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.607 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 46.9 mm-40 -65.86 129.69 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.676 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . 0.5 ' HA2' ' HG2' ' A' ' 611' ' ' GLU . . . 85.35 5.06 85.58 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.783 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.405 ' O ' ' HB1' ' A' ' 607' ' ' ALA . 0.3 OUTLIER -110.78 98.02 35.99 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 179.856 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.58 ' HD3' ' HG3' ' A' ' 611' ' ' GLU . 92.5 Cg_endo -84.27 155.29 12.64 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.595 2.197 . . . . 0.0 113.032 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.571 ' HB2' ' HB3' ' A' ' 607' ' ' ALA . 1.4 mtpt -153.5 125.43 7.83 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.04 0.448 . . . . 0.0 111.457 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.22 107.17 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.617 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.655 ' HB3' ' HD3' ' B' ' 601' ' ' PRO . 0.0 OUTLIER -139.34 -66.04 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.02 179.858 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' B' ' 600' ' ' GLU . 67.8 Cg_endo -73.66 136.78 23.94 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.468 2.112 . . . . 0.0 112.403 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -100.73 59.32 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.297 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.662 ' O ' ' N ' ' C' ' 591' ' ' GLY . . . -96.16 164.22 12.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.316 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.557 ' HA ' ' HE2' ' C' ' 598' ' ' LYS . 0.1 OUTLIER -58.15 -37.82 75.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.45 ' HB2' ' HG2' ' C' ' 606' ' ' GLN . 4.7 t -63.05 -39.22 94.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.448 ' HG2' ' HB2' ' A' ' 605' ' ' SER . 0.0 OUTLIER -68.42 -29.45 68.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' C' ' 598' ' ' LYS . . . -64.75 -37.32 87.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' C' ' 597' ' ' PRO . . . -65.86 -35.32 80.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.491 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -35.62 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 -179.525 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.535 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 3.7 mt-10 -64.64 -42.13 95.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.191 0.519 . . . . 0.0 111.811 179.6 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.569 ' HG3' ' HD3' ' C' ' 597' ' ' PRO . 1.0 OUTLIER -61.4 -43.73 98.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.401 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.468 HD21 ' HG3' ' C' ' 613' ' ' ARG . 12.1 mt -63.93 -33.89 76.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.085 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.458 ' HG3' HD21 ' A' ' 612' ' ' LEU . 40.9 ttm-85 -60.44 -49.53 77.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -48.1 83.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.692 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -41.85 93.62 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.92 -45.84 91.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -63.57 -44.93 92.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.392 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 622' ' ' ILE . 0.0 OUTLIER -65.02 -32.06 73.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' C' ' 619' ' ' LEU . 0.0 OUTLIER -63.74 -47.45 81.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.714 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.8 OUTLIER -63.98 -37.84 88.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.841 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 618' ' ' GLU . 75.5 mt -65.66 -44.06 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.603 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' B' ' 620' ' ' ARG . 3.9 mt -65.79 -43.68 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.194 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.37 -46.48 80.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.202 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.982 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 19.8 mtt -64.52 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.34 -45.89 85.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.11 -42.48 93.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.078 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.5 -38.84 88.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 631' ' ' LYS . 10.4 mmtt -62.26 -43.0 99.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -65.72 -37.27 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.98 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.746 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.5 mt-10 -65.53 -43.71 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.083 0.468 . . . . 0.0 111.893 -179.006 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.729 HG21 ' HB3' ' A' ' 633' ' ' GLU . 7.1 mt -70.09 -40.39 78.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.114 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -46.09 89.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.465 -179.52 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -41.05 99.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.993 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.734 HD12 HG23 ' C' ' 634' ' ' ILE . 0.8 OUTLIER -57.31 -40.68 78.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.744 179.624 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.458 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.4 mt -63.11 -45.01 94.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.35 -40.82 87.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -62.75 -47.06 85.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.012 0.434 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.483 HD11 ' CB ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -63.0 -35.75 81.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.801 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.51 98.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.5 -179.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.66 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 mm-40 -64.5 -40.63 96.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.229 179.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.506 ' HG2' ' HE ' ' C' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.41 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -63.14 -45.78 90.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.754 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.459 ' HG3' ' HD2' ' B' ' 650' ' ' ARG . 0.1 OUTLIER -65.28 -41.21 94.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -179.708 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 643' ' ' GLU . 17.7 mt -65.15 -42.0 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.079 0.466 . . . . 0.0 111.158 -179.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.503 ' HE ' ' HG2' ' A' ' 644' ' ' GLU . 3.1 tmm_? -64.61 -39.61 94.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.731 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.459 ' HD2' ' HG3' ' B' ' 646' ' ' LYS . 3.5 mtp180 -62.69 -31.28 72.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.639 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' C' ' 652' ' ' GLN . 0.1 OUTLIER -62.7 -48.42 79.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.65 ' HB2' HD11 ' A' ' 651' ' ' LEU . 4.9 tt0 -60.67 -34.53 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.229 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 52.8 mmm -69.06 -31.48 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.348 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.406 ' O ' HG22 ' B' ' 658' ' ' ILE . 57.2 tt0 -70.04 -39.78 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.469 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 651' ' ' LEU . 9.2 t -68.87 -39.11 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 111.153 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.74 -40.68 92.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -47.54 79.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.764 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' C' ' 659' ' ' LYS . 5.8 tt -66.77 -31.6 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.623 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.0 OUTLIER -64.6 -41.3 96.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.89 83.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.62 88.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.685 ' HA ' ' HD3' ' B' ' 665' ' ' LYS . 1.1 tt -70.8 -18.2 62.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.607 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -19.63 30.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.52 -34.76 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.685 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.54 64.24 1.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.913 0.387 . . . . 0.0 110.695 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.4 ttt -140.69 127.51 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.589 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.535 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 46.9 mm-40 -65.8 129.63 40.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.713 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . 0.508 ' HA2' ' HG2' ' B' ' 611' ' ' GLU . . . 85.4 4.95 85.55 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.802 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.409 ' O ' ' HB1' ' B' ' 607' ' ' ALA . 0.3 OUTLIER -110.73 98.07 35.94 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 110.618 -0.142 . . . . 0.0 110.618 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.569 ' HD3' ' HG3' ' B' ' 611' ' ' GLU . 93.0 Cg_endo -84.32 155.33 12.54 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.562 2.174 . . . . 0.0 112.984 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' B' ' 607' ' ' ALA . 1.4 mtpt -153.52 125.4 7.8 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.039 0.447 . . . . 0.0 111.469 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.29 107.3 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.62 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.689 ' HB3' ' HD3' ' C' ' 601' ' ' PRO . 0.0 OUTLIER -139.48 -66.06 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' C' ' 600' ' ' GLU . 67.6 Cg_endo -73.66 136.75 23.91 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.461 2.107 . . . . 0.0 112.424 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -100.71 59.31 0.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.348 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.669 ' O ' ' N ' ' A' ' 591' ' ' GLY . . . -96.15 164.28 12.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.337 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.556 ' HA ' ' HE2' ' A' ' 598' ' ' LYS . 0.1 OUTLIER -58.17 -37.85 75.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.644 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.425 ' HB2' ' HG2' ' A' ' 606' ' ' GLN . 4.7 t -63.04 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.971 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.45 ' HG2' ' HB2' ' B' ' 605' ' ' SER . 0.0 OUTLIER -68.51 -29.32 67.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 598' ' ' LYS . . . -64.89 -37.21 86.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 597' ' ' PRO . . . -65.95 -35.29 80.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.439 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.411 HG23 ' H ' ' C' ' 609' ' ' VAL . 0.4 OUTLIER -69.23 -35.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.546 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.544 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 3.7 mt-10 -64.68 -42.1 95.59 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 111.739 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.581 ' HG3' ' HD3' ' A' ' 597' ' ' PRO . 1.0 OUTLIER -61.38 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.503 179.382 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 613' ' ' ARG . 12.2 mt -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.099 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.468 ' HG3' HD21 ' B' ' 612' ' ' LEU . 40.9 ttm-85 -60.52 -49.53 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.005 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -48.11 83.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.648 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.14 -41.8 93.51 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 111.185 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.98 -45.83 91.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -63.5 -45.01 92.64 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.321 -179.761 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.454 ' O ' HG13 ' C' ' 622' ' ' ILE . 0.0 OUTLIER -64.97 -32.13 73.71 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 619' ' ' LEU . 0.0 OUTLIER -63.76 -47.49 80.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.756 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.695 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.8 OUTLIER -63.96 -37.75 88.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.811 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -36.91 85.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.454 HG13 ' O ' ' C' ' 618' ' ' GLU . 75.6 mt -65.72 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' C' ' 620' ' ' ARG . 3.9 mt -65.85 -43.63 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.19 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.42 -46.41 80.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.273 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 19.9 mtt -64.54 -35.54 81.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.27 -45.88 86.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -65.24 -42.35 93.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.024 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.53 -38.87 88.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -41.25 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' C' ' 631' ' ' LYS . 10.4 mmtt -62.16 -43.05 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -65.78 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.993 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.5 mt-10 -65.46 -43.76 89.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.892 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.746 HG21 ' HB3' ' B' ' 633' ' ' GLU . 7.1 mt -70.14 -40.33 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.128 179.249 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -46.1 89.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.456 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -41.06 99.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.957 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.707 HD12 HG23 ' A' ' 634' ' ' ILE . 0.8 OUTLIER -57.27 -40.73 78.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.639 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.452 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.4 mt -63.04 -45.09 93.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 25.5 p -59.28 -40.91 87.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.66 -47.06 85.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.027 0.441 . . . . 0.0 110.96 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' B' ' 641' ' ' LEU . 0.6 OUTLIER -63.08 -35.72 81.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.792 179.517 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -41.56 98.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.49 -179.344 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.67 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 mm-40 -64.51 -40.6 95.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.201 179.276 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.492 ' HG2' ' HE ' ' A' ' 648' ' ' ARG . 1.3 tt0 -70.94 -32.4 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.08 -45.86 90.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.445 ' HG3' ' HD2' ' C' ' 650' ' ' ARG . 0.1 OUTLIER -65.31 -41.17 94.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -179.68 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.67 HG13 ' O ' ' C' ' 643' ' ' GLU . 17.7 mt -65.1 -42.06 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.988 0.423 . . . . 0.0 111.184 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.506 ' HE ' ' HG2' ' B' ' 644' ' ' GLU . 3.1 tmm_? -64.55 -39.73 94.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.992 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -50.64 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.445 ' HD2' ' HG3' ' C' ' 646' ' ' LYS . 3.4 mtp180 -62.73 -31.26 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.684 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 652' ' ' GLN . 0.1 OUTLIER -62.68 -48.38 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.795 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' B' ' 651' ' ' LEU . 4.9 tt0 -60.87 -34.39 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 52.6 mmm -69.02 -31.64 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 111.336 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.411 ' O ' HG22 ' C' ' 658' ' ' ILE . 57.2 tt0 -69.92 -39.86 75.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.502 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 651' ' ' LEU . 9.1 t -68.77 -39.12 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.499 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.8 -40.6 92.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 179.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 659' ' ' LYS . 5.8 tt -66.69 -31.56 54.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.67 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.0 OUTLIER -64.63 -41.36 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 111.058 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -47.89 83.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.59 88.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.344 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.669 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.1 tt -70.76 -18.25 62.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -19.63 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.57 -34.78 40.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.669 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -29.73 57.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 110.693 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.424 ' HG3' HE21 ' B' ' 615' ' ' GLN . 14.6 mtt -144.43 136.08 25.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.627 -179.554 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.6 ' HB3' ' HG3' ' A' ' 597' ' ' PRO . 3.2 tt0 -79.79 -29.69 40.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.749 -179.765 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 133.06 33.37 0.37 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.794 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.523 ' N ' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER 60.48 51.36 2.66 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 179.815 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.6 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 93.8 Cg_endo -84.43 -19.04 4.59 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.526 2.151 . . . . 0.0 112.971 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.602 ' HB3' ' HB3' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -107.6 141.41 39.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.09 0.472 . . . . 0.0 111.393 -179.83 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.86 146.78 46.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.624 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.425 ' HA ' ' CZ ' ' B' ' 613' ' ' ARG . 0.6 OUTLIER -83.37 112.34 38.41 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.974 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.11 -14.92 29.03 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.462 2.108 . . . . 0.0 112.391 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . 0.641 ' HB1' ' HB3' ' A' ' 607' ' ' ALA . . . -76.43 132.99 39.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.403 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -67.91 -42.74 80.66 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.326 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.35 152.74 20.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.211 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 609' ' ' VAL . 5.8 m -67.1 -37.47 83.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.914 -179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.4 -44.59 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.641 ' HB3' ' HB1' ' A' ' 602' ' ' ALA . . . -64.17 -43.48 94.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -58.5 -35.98 73.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.437 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.938 HG11 ' HB1' ' C' ' 608' ' ' ALA . 61.7 t -63.63 -39.41 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.53 76.01 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.213 0.53 . . . . 0.0 111.81 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 614' ' ' THR . 35.8 mt-10 -58.72 -39.69 81.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.417 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.89 74.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.815 0.341 . . . . 0.0 111.23 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' C' ' 598' ' ' LYS . 9.4 mmt180 -62.88 -47.14 84.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.042 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 611' ' ' GLU . 0.0 OUTLIER -68.14 -30.07 69.11 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.635 179.892 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.425 HE21 ' HG3' ' C' ' 593' ' ' MET . 2.0 mt-30 -68.19 -46.83 69.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.175 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 619' ' ' LEU . 16.5 m -67.64 -41.24 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.417 HH21 ' HA ' ' C' ' 598' ' ' LYS . 9.3 tpp180 -58.31 -51.67 68.83 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 -179.739 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.15 72.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 622' ' ' ILE . 8.8 mt -60.42 -38.8 85.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 623' ' ' ILE . 1.6 ttm105 -64.19 -34.61 78.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -31.74 65.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 619' ' ' LEU . 21.1 mt -64.24 -45.74 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.54 -179.578 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.5 mt -66.44 -38.48 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.208 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.28 -48.23 68.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.245 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p -61.87 -42.9 99.62 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.522 ' HB3' ' HG3' ' B' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.15 77.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.544 ' HZ1' ' HB3' ' C' ' 629' ' ' GLN . 0.2 OUTLIER -70.89 -37.09 72.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.876 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.45 -35.43 80.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.539 ' HB3' ' HZ1' ' B' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.71 69.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.458 HE21 ' HG2' ' B' ' 627' ' ' LYS . 1.5 tp-100 -61.03 -46.4 90.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.08 84.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.027 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.87 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.056 0.455 . . . . 0.0 111.887 -179.081 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.579 HG23 HD12 ' C' ' 637' ' ' LEU . 52.4 mt -58.31 -46.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.072 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -43.0 76.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.446 -179.482 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.58 -39.88 92.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.606 HD23 HD12 ' B' ' 641' ' ' LEU . 0.3 OUTLIER -63.2 -34.8 78.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.49 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 0.7 OUTLIER -71.2 -31.13 67.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.763 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.405 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 6.1 tt0 -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.819 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.588 HD12 HD23 ' C' ' 637' ' ' LEU . 0.5 OUTLIER -61.81 -44.58 96.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.705 179.608 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.72 -42.48 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.518 ' O ' HG13 ' A' ' 647' ' ' ILE . 85.3 mt-10 -61.18 -46.58 89.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.646 ' HB2' ' HE2' ' B' ' 645' ' ' LYS . 27.0 tt0 -66.25 -33.04 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.643 ' HE2' ' HB2' ' C' ' 644' ' ' GLU . 13.5 mmtt -64.02 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.742 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -62.93 -48.39 79.11 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -179.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 644' ' ' GLU . 2.1 mt -62.3 -38.76 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.115 0.483 . . . . 0.0 111.179 -179.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.52 HH11 ' HG3' ' C' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.35 96.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.066 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.746 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.2 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 655' ' ' VAL . 12.8 tp -63.3 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.788 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -44.46 96.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.17 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -39.29 90.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.312 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 658' ' ' ILE . 6.0 tt0 -64.03 -40.43 96.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.483 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 651' ' ' LEU . 73.8 t -64.39 -46.77 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 111.141 -179.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -56.19 -39.77 72.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.84 98.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 654' ' ' GLU . 8.5 mt -65.78 -45.96 90.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.697 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 663' ' ' GLN . 4.8 tttt -62.06 -44.55 96.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 0.0 111.075 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.98 -40.54 96.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.94 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.357 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.826 ' HG ' HD11 ' B' ' 662' ' ' LEU . 1.1 mt -76.71 -31.18 57.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 7.2 mm100 -86.04 -28.64 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.1 t -70.51 -49.5 47.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.002 179.96 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -29.72 57.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 110.677 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . 0.417 ' HG3' HE21 ' C' ' 615' ' ' GLN . 14.7 mtt -144.5 136.13 25.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.567 -179.554 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.586 ' HB3' ' HG3' ' B' ' 597' ' ' PRO . 3.2 tt0 -79.77 -29.77 40.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.746 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 133.12 33.32 0.37 Allowed Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.772 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.534 ' N ' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER 60.5 51.36 2.64 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.58 -0.155 . . . . 0.0 110.58 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.586 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.5 Cg_endo -84.39 -19.07 4.62 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.544 2.162 . . . . 0.0 112.992 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.602 ' HB3' ' HB3' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -107.55 141.45 38.98 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.04 0.448 . . . . 0.0 111.418 -179.836 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.96 146.78 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.424 ' HA ' ' CZ ' ' C' ' 613' ' ' ARG . 0.6 OUTLIER -83.31 112.29 37.86 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 179.906 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.15 -14.82 28.86 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.459 2.106 . . . . 0.0 112.395 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' B' ' 607' ' ' ALA . . . -76.5 132.94 39.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.387 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -67.87 -42.79 80.75 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.31 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.28 152.79 20.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 -179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.688 ' O ' HG23 ' B' ' 609' ' ' VAL . 5.8 m -67.16 -37.48 83.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.859 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -60.44 -44.52 95.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.64 ' HB3' ' HB1' ' B' ' 602' ' ' ALA . . . -64.19 -43.47 94.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.939 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -58.5 -36.03 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' A' ' 608' ' ' ALA . 61.8 t -63.57 -39.36 85.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.679 -179.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.23 -46.65 75.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 111.764 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.525 ' O ' HG23 ' B' ' 614' ' ' THR . 35.8 mt-10 -58.54 -39.73 81.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.5 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.594 ' HB3' ' HG ' ' A' ' 612' ' ' LEU . 2.0 mm? -65.82 -32.95 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.602 ' HB3' ' HB3' ' A' ' 598' ' ' LYS . 9.4 mmt180 -62.92 -47.01 85.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.047 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.525 HG23 ' O ' ' B' ' 611' ' ' GLU . 0.0 OUTLIER -68.2 -30.15 69.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.545 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.424 HE21 ' HG3' ' A' ' 593' ' ' MET . 2.0 mt-30 -68.14 -46.82 69.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.001 0.429 . . . . 0.0 111.188 -179.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.574 ' HA ' HD12 ' B' ' 619' ' ' LEU . 16.4 m -67.63 -41.31 85.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.41 HH21 ' HA ' ' A' ' 598' ' ' LYS . 9.3 tpp180 -58.22 -51.76 68.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.6 -31.12 72.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.683 ' HA ' HD12 ' B' ' 622' ' ' ILE . 8.8 mt -60.45 -38.74 85.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.475 ' HA ' HD12 ' B' ' 623' ' ' ILE . 1.6 ttm105 -64.26 -34.53 78.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -31.7 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 179.505 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' B' ' 619' ' ' LEU . 21.0 mt -64.24 -45.66 95.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.5 mt -66.54 -38.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.211 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -48.24 68.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.8 -42.92 99.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.51 ' HB3' ' HG3' ' C' ' 627' ' ' LYS . 17.6 mtt -65.33 -34.16 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.539 ' HZ1' ' HB3' ' A' ' 629' ' ' GLN . 0.2 OUTLIER -70.93 -37.11 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.46 -35.4 80.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.517 ' HB3' ' HZ1' ' C' ' 627' ' ' LYS . 6.2 tp60 -69.26 -45.74 68.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.46 HE21 ' HG2' ' C' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.47 90.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.01 -39.05 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -45.51 90.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.94 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.8 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 111.846 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.591 HG23 HD12 ' A' ' 637' ' ' LEU . 52.5 mt -58.29 -47.04 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.128 179.246 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -43.02 76.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.428 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.91 92.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.591 HD12 HG23 ' C' ' 634' ' ' ILE . 0.3 OUTLIER -63.11 -34.88 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.612 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.487 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 0.7 OUTLIER -71.21 -31.12 67.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.712 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.28 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.409 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 6.1 tt0 -62.15 -41.79 98.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 637' ' ' LEU . 0.5 OUTLIER -61.71 -44.59 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.784 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.71 -42.53 97.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.487 -179.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.518 ' O ' HG13 ' B' ' 647' ' ' ILE . 85.3 mt-10 -61.27 -46.48 90.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.249 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.65 ' HB2' ' HE2' ' C' ' 645' ' ' LYS . 27.0 tt0 -66.3 -32.96 74.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.922 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.646 ' HE2' ' HB2' ' A' ' 644' ' ' GLU . 13.6 mmtt -64.06 -45.12 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -63.04 -48.25 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 644' ' ' GLU . 2.1 mt -62.3 -38.79 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 111.177 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.512 HH11 ' HG3' ' A' ' 644' ' ' GLU . 5.6 ttp-105 -64.28 -42.34 96.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.017 -179.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.04 -39.21 93.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.732 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -41.18 91.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.652 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.56 ' O ' HG23 ' B' ' 655' ' ' VAL . 12.7 tp -63.29 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.42 96.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.145 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -39.26 89.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.241 -179.653 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.628 ' O ' HG13 ' B' ' 658' ' ' ILE . 6.0 tt0 -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.468 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 651' ' ' LEU . 73.8 t -64.33 -46.67 92.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 111.196 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -56.34 -39.84 73.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.23 -43.83 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 654' ' ' GLU . 8.6 mt -65.88 -45.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.614 -179.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' B' ' 663' ' ' GLN . 4.8 tttt -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -63.85 -40.63 97.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.77 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.377 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.826 HD11 ' HG ' ' A' ' 662' ' ' LEU . 1.1 mt -76.78 -31.11 56.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 659' ' ' LYS . 7.2 mm100 -86.09 -28.64 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 29.2 t -70.51 -49.47 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.015 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.133 -0.936 . . . . 0.0 111.021 -179.98 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -29.71 57.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.898 0.38 . . . . 0.0 110.688 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . 0.425 ' HG3' HE21 ' A' ' 615' ' ' GLN . 14.6 mtt -144.42 136.05 25.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.631 -179.526 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.58 ' HB3' ' HG3' ' C' ' 597' ' ' PRO . 3.2 tt0 -79.77 -29.74 40.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.748 -179.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 133.12 33.34 0.37 Allowed Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.8 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER 60.53 51.27 2.59 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 110.624 -0.139 . . . . 0.0 110.624 179.837 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.58 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 93.5 Cg_endo -84.36 -19.07 4.65 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.606 2.204 . . . . 0.0 113.008 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.588 ' HB3' ' HB3' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -107.52 141.37 39.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.046 0.451 . . . . 0.0 111.413 -179.833 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.91 146.81 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.595 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 0.6 OUTLIER -83.37 112.28 37.95 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.991 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -72.11 -14.93 29.01 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.465 2.11 . . . . 0.0 112.352 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . 0.647 ' HB1' ' HB3' ' C' ' 607' ' ' ALA . . . -76.4 133.03 40.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.385 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.72 80.2 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.291 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.31 152.78 20.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.249 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.685 ' O ' HG23 ' C' ' 609' ' ' VAL . 5.8 m -67.04 -37.62 84.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.34 -44.56 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.647 ' HB3' ' HB1' ' C' ' 602' ' ' ALA . . . -64.15 -43.5 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.938 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -58.48 -36.0 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.458 -179.743 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.939 HG11 ' HB1' ' B' ' 608' ' ' ALA . 61.5 t -63.64 -39.36 85.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.636 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.33 -46.52 76.35 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.768 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.52 ' O ' HG23 ' C' ' 614' ' ' THR . 35.8 mt-10 -58.6 -39.75 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.457 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.589 ' HG ' ' HB3' ' A' ' 612' ' ' LEU . 2.0 mm? -65.86 -32.87 74.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 -179.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.602 ' HB3' ' HB3' ' B' ' 598' ' ' LYS . 9.4 mmt180 -62.98 -47.07 84.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.995 -179.733 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.52 HG23 ' O ' ' C' ' 611' ' ' GLU . 0.0 OUTLIER -68.14 -30.1 69.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.609 179.899 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.417 HE21 ' HG3' ' B' ' 593' ' ' MET . 2.0 mt-30 -68.22 -46.82 69.52 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 111.159 -179.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' C' ' 619' ' ' LEU . 16.5 m -67.69 -41.19 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.42 HH21 ' HA ' ' B' ' 598' ' ' LYS . 9.3 tpp180 -58.35 -51.62 69.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.761 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.59 -31.13 72.21 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.012 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' C' ' 622' ' ' ILE . 8.8 mt -60.45 -38.73 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.996 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' C' ' 623' ' ' ILE . 1.6 ttm105 -64.29 -34.5 78.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -31.72 65.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' C' ' 619' ' ' LEU . 21.2 mt -64.15 -45.8 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.623 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.4 mt -66.41 -38.39 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.226 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.35 -48.27 67.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.417 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 21.6 p -61.75 -42.95 99.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.519 ' HB3' ' HG3' ' A' ' 627' ' ' LYS . 17.5 mtt -65.33 -34.18 77.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.517 ' HZ1' ' HB3' ' B' ' 629' ' ' GLN . 0.2 OUTLIER -70.85 -37.09 73.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.44 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.544 ' HB3' ' HZ1' ' A' ' 627' ' ' LYS . 6.2 tp60 -69.28 -45.71 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.796 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.46 HE21 ' HG2' ' A' ' 627' ' ' LYS . 1.5 tp-100 -60.92 -46.4 90.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.007 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.04 -39.16 84.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' C' ' 632' ' ' ARG . 0.0 OUTLIER -59.09 -45.52 90.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.01 179.597 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.91 -42.6 99.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 111.843 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.591 HG23 HD12 ' B' ' 637' ' ' LEU . 52.5 mt -58.27 -46.95 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.153 179.205 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -43.04 76.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.4 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.55 -39.9 92.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.588 HD23 HD12 ' A' ' 641' ' ' LEU . 0.3 OUTLIER -63.09 -34.89 78.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.506 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 0.7 OUTLIER -71.17 -31.14 67.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.72 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.23 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.2 -41.73 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.43 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.589 HD12 HD23 ' B' ' 637' ' ' LEU . 0.5 OUTLIER -61.68 -44.68 96.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.797 179.489 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.68 -42.6 97.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.5 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.521 ' O ' HG13 ' C' ' 647' ' ' ILE . 85.3 mt-10 -61.1 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.195 179.259 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.643 ' HB2' ' HE2' ' A' ' 645' ' ' LYS . 27.1 tt0 -66.29 -33.03 74.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.65 ' HE2' ' HB2' ' B' ' 644' ' ' GLU . 13.6 mmtt -64.01 -45.12 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -62.96 -48.43 78.9 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' C' ' 644' ' ' GLU . 2.1 mt -62.22 -38.78 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.1 0.476 . . . . 0.0 111.212 -179.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.522 HH11 ' HG3' ' B' ' 644' ' ' GLU . 5.6 ttp-105 -64.24 -42.37 96.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.061 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.98 -39.33 93.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -41.11 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.646 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.575 ' O ' HG23 ' C' ' 655' ' ' VAL . 12.7 tp -63.33 -33.41 75.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -44.51 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.175 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.306 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.612 ' O ' HG13 ' C' ' 658' ' ' ILE . 6.0 tt0 -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.575 HG23 ' O ' ' C' ' 651' ' ' LEU . 74.3 t -64.26 -46.78 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -56.23 -39.8 73.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.612 HG13 ' O ' ' C' ' 654' ' ' GLU . 8.6 mt -65.87 -45.87 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.664 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' C' ' 663' ' ' GLN . 4.8 tttt -62.15 -44.51 96.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -63.93 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.87 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.368 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 662' ' ' LEU . 1.1 mt -76.73 -31.25 57.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.48 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' C' ' 659' ' ' LYS . 7.3 mm100 -85.96 -28.69 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 29.0 t -70.39 -49.57 47.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.011 -179.987 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.73 158.28 18.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.404 . . . . 0.0 110.657 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 25.9 mtt -135.31 164.28 28.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.61 -179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' B' ' 620' ' ' ARG . 2.2 mp0 -77.37 -26.27 51.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.684 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.22 -18.19 52.68 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.747 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.519 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 1.0 OUTLIER 53.14 66.3 4.89 Favored Pre-proline 0 CA--C 1.531 0.24 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -86.32 -9.94 6.87 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.596 2.197 . . . . 0.0 113.025 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.63 48.55 2.14 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.056 0.455 . . . . 0.0 111.424 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.685 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -66.73 -30.88 71.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.553 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.558 ' HG3' ' HD2' ' A' ' 601' ' ' PRO . 2.6 tp10 -82.48 135.88 46.26 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.962 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.558 ' HD2' ' HG3' ' A' ' 600' ' ' GLU . 68.0 Cg_endo -72.39 166.3 30.17 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.515 2.143 . . . . 0.0 112.446 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -60.62 154.57 20.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.378 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.89 73.51 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.34 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.56 155.91 19.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.596 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.622 ' O ' HG23 ' A' ' 609' ' ' VAL . 3.0 m -72.7 -46.4 53.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 610' ' ' GLU . 1.4 tt0 -70.79 -38.15 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.74 -34.53 78.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.25 -49.15 46.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.435 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 605' ' ' SER . 25.9 t -63.67 -48.17 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.612 -179.518 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 606' ' ' GLN . 0.1 OUTLIER -53.21 -53.6 48.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 111.7 179.636 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.409 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 17.5 mt-10 -66.04 -25.89 67.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.452 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.1 OUTLIER -66.57 -50.34 63.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.767 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -65.26 -40.72 94.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.002 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 611' ' ' GLU . 32.2 p -63.56 -27.75 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.662 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.795 ' HB3' HG11 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -70.88 -51.14 28.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 -179.482 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.806 HG11 ' HB3' ' C' ' 615' ' ' GLN . 1.9 t -63.96 -39.43 85.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.681 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.0 OUTLIER -60.07 -44.98 94.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.254 -179.743 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -42.12 91.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 1.016 ' HA ' HD12 ' A' ' 622' ' ' ILE . 7.5 tp -65.28 -34.7 78.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.589 ' HD2' HD13 ' C' ' 619' ' ' LEU . 2.2 tpt180 -60.56 -45.91 92.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' C' ' 594' ' ' GLU . 4.1 m -60.01 -36.59 77.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.566 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 1.016 HD12 ' HA ' ' A' ' 619' ' ' LEU . 5.8 mt -69.04 -34.68 65.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.589 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.741 HD11 HD11 ' C' ' 623' ' ' ILE . 1.1 mp -61.24 -45.32 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.219 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . 0.405 ' HB2' ' OE1' ' C' ' 594' ' ' GLU . 7.9 tt0 -65.46 -40.36 93.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.221 -179.381 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -66.27 -39.07 89.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.975 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.15 -41.6 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.606 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 7.8 ttmm -64.22 -42.52 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.02 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.93 -27.52 60.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 1.9 tt0 -67.19 -47.95 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 0.1 OUTLIER -63.65 -41.23 98.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.024 -179.786 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.604 ' O ' HG13 ' A' ' 634' ' ' ILE . 18.3 mttt -59.81 -41.92 92.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -68.01 -42.88 80.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 93.2 mt-10 -61.54 -48.63 80.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.86 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.0 OUTLIER -65.83 -33.97 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.079 179.253 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 638' ' ' LEU . 40.2 mttt -58.77 -48.8 80.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.472 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -38.49 91.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.985 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.53 -45.85 88.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 635' ' ' LYS . 2.6 mt -60.81 -45.81 92.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -35.77 78.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.2 -43.52 86.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.959 0.409 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.575 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.6 OUTLIER -65.87 -36.0 82.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.819 179.582 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -44.94 83.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.471 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -39.99 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 179.231 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -35.46 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.32 -36.81 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.69 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.19 -37.76 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.159 -179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -65.14 -43.76 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.022 -179.773 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . 0.543 ' O ' ' HG2' ' A' ' 653' ' ' MET . 2.9 mt -58.86 -41.36 86.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 179.829 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -39.45 93.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.694 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.706 HD22 ' HG2' ' B' ' 652' ' ' GLN . 45.5 tp -67.09 -39.14 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.759 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.705 ' HG2' HD22 ' C' ' 651' ' ' LEU . 2.9 mm-40 -57.54 -43.48 84.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 649' ' ' LEU . 18.9 mmt -66.56 -41.21 88.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.314 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.666 ' O ' HG13 ' A' ' 658' ' ' ILE . 34.7 tt0 -61.34 -40.77 95.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.503 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 651' ' ' LEU . 42.9 t -65.32 -42.02 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.64 94.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.51 98.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.754 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.666 HG13 ' O ' ' A' ' 654' ' ' GLU . 10.3 mt -71.42 -35.35 56.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.643 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -50.15 68.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -69.01 -32.9 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.62 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.322 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.586 ' HA ' ' HD3' ' A' ' 665' ' ' LYS . 1.3 tt -63.62 -33.44 75.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.558 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.3 -29.18 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p -77.3 -17.7 58.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.055 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -87.63 158.14 18.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.655 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 25.9 mtt -135.23 164.34 27.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.647 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' C' ' 620' ' ' ARG . 2.2 mp0 -77.4 -26.25 51.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.689 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.12 -18.08 52.93 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.822 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.528 ' HA ' ' HD3' ' C' ' 617' ' ' ARG . 1.0 OUTLIER 53.06 66.42 4.8 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 110.579 -0.156 . . . . 0.0 110.579 179.754 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -86.31 -10.06 6.81 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.552 2.168 . . . . 0.0 112.986 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.59 48.58 2.14 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.002 0.43 . . . . 0.0 111.413 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.705 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -66.66 -30.97 71.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.529 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.571 ' HG3' ' HD2' ' B' ' 601' ' ' PRO . 2.6 tp10 -82.42 135.92 46.43 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.952 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.571 ' HD2' ' HG3' ' B' ' 600' ' ' GLU . 67.9 Cg_endo -72.42 166.29 30.23 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.469 2.113 . . . . 0.0 112.425 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -60.53 154.56 20.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.335 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.85 73.55 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.29 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.62 155.94 19.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.628 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.0 m -72.74 -46.34 53.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.866 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 610' ' ' GLU . 1.4 tt0 -70.73 -38.25 73.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.63 -34.62 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.2 -49.26 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.439 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 605' ' ' SER . 25.8 t -63.59 -48.22 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 606' ' ' GLN . 0.1 OUTLIER -53.12 -53.61 47.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.158 0.504 . . . . 0.0 111.781 179.616 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.414 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 17.5 mt-10 -66.08 -25.89 67.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.43 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 612' ' ' LEU . 0.1 OUTLIER -66.56 -50.37 63.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.132 -179.775 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -65.31 -40.61 94.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' B' ' 611' ' ' GLU . 32.1 p -63.61 -27.76 69.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.663 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.796 ' HB3' HG11 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -70.91 -51.11 28.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 111.098 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.795 HG11 ' HB3' ' A' ' 615' ' ' GLN . 1.9 t -63.93 -39.51 85.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.685 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -60.05 -44.97 94.32 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.327 -179.702 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -42.15 91.4 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.942 ' HA ' HD12 ' B' ' 622' ' ' ILE . 7.5 tp -65.31 -34.66 78.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.01 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.576 ' HD2' HD13 ' A' ' 619' ' ' LEU . 2.2 tpt180 -60.58 -45.88 92.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 594' ' ' GLU . 4.1 m -60.02 -36.57 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.942 HD12 ' HA ' ' B' ' 619' ' ' LEU . 5.7 mt -69.04 -34.74 65.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.587 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 623' ' ' ILE . 1.1 mp -61.24 -45.31 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . 0.416 ' HB2' ' OE1' ' A' ' 594' ' ' GLU . 7.9 tt0 -65.48 -40.28 92.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.222 -179.339 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.013 179.782 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 7.4 ttm -68.25 -41.6 80.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 7.8 ttmm -64.18 -42.51 96.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.85 -27.59 60.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 1.9 tt0 -67.17 -48.01 69.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 0.1 OUTLIER -63.58 -41.25 98.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.752 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.607 ' O ' HG13 ' B' ' 634' ' ' ILE . 18.3 mttt -59.85 -41.93 92.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -67.96 -43.01 80.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.956 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 93.2 mt-10 -61.45 -48.66 80.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 111.872 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.0 OUTLIER -65.79 -33.94 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' B' ' 638' ' ' LEU . 39.9 mttt -58.95 -48.74 80.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.449 -179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -38.62 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.52 -45.86 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 635' ' ' LYS . 2.6 mt -60.84 -45.82 92.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.17 -43.52 86.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.79 -36.11 82.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.791 179.563 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -45.01 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.529 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -40.04 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.227 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -35.63 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.26 -36.8 85.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.727 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -55.72 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 -179.619 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.24 -37.68 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.197 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.614 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -65.13 -43.77 90.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.055 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . 0.538 ' O ' ' HG2' ' B' ' 653' ' ' MET . 2.9 mt -58.89 -41.27 86.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.4 93.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 655' ' ' VAL . 45.5 tp -67.05 -39.2 86.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.706 ' HG2' HD22 ' A' ' 651' ' ' LEU . 2.9 mm-40 -57.51 -43.46 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' B' ' 649' ' ' LEU . 18.9 mmt -66.6 -41.2 88.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.323 -179.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.666 ' O ' HG13 ' B' ' 658' ' ' ILE . 34.7 tt0 -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.536 179.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 651' ' ' LEU . 43.0 t -65.35 -42.0 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -39.69 94.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.824 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -42.46 98.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.763 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.666 HG13 ' O ' ' B' ' 654' ' ' GLU . 10.3 mt -71.37 -35.39 57.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.623 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -50.17 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.02 -32.85 72.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.966 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.59 81.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.317 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.59 ' HA ' ' HD3' ' B' ' 665' ' ' LYS . 1.3 tt -63.69 -33.36 75.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.41 -29.07 34.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 8.1 p -77.42 -17.7 57.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.59 ' HD3' ' HA ' ' B' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.581 -0.207 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -87.67 158.16 18.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.706 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 25.9 mtt -135.23 164.33 27.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.623 -179.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.542 ' HG2' ' HG2' ' A' ' 620' ' ' ARG . 2.2 mp0 -77.4 -26.26 51.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.703 -179.801 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.18 -18.12 52.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.802 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.526 ' HA ' ' HD3' ' A' ' 617' ' ' ARG . 1.0 OUTLIER 53.1 66.26 4.95 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 110.676 -0.12 . . . . 0.0 110.676 179.856 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -86.22 -10.1 6.9 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.654 2.236 . . . . 0.0 113.001 -179.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.61 48.62 2.13 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.054 0.454 . . . . 0.0 111.416 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.681 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -66.7 -30.93 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.52 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.568 ' HG3' ' HD2' ' C' ' 601' ' ' PRO . 2.6 tp10 -82.52 135.98 46.03 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.568 ' HD2' ' HG3' ' C' ' 600' ' ' GLU . 67.7 Cg_endo -72.45 166.26 30.33 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.456 2.104 . . . . 0.0 112.396 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -60.47 154.58 20.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.376 -179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.88 73.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.358 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.53 155.92 19.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.636 ' O ' HG23 ' C' ' 609' ' ' VAL . 3.0 m -72.77 -46.37 53.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.874 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' C' ' 610' ' ' GLU . 1.4 tt0 -70.67 -38.32 73.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.56 78.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.15 46.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.489 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.636 HG23 ' O ' ' C' ' 605' ' ' SER . 25.7 t -63.63 -48.23 87.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 -179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' C' ' 606' ' ' GLN . 0.1 OUTLIER -53.1 -53.61 47.88 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 111.803 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 17.4 mt-10 -66.12 -25.88 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.388 179.441 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -66.53 -50.45 63.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 -179.817 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -65.25 -40.62 94.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' C' ' 611' ' ' GLU . 32.0 p -63.67 -27.67 69.38 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.664 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.806 ' HB3' HG11 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -70.95 -51.12 27.7 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 111.166 -179.523 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' B' ' 615' ' ' GLN . 1.9 t -63.92 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.705 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -60.03 -45.0 94.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.327 -179.729 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -42.19 91.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.974 ' HA ' HD12 ' C' ' 622' ' ' ILE . 7.4 tp -65.34 -34.6 78.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' B' ' 619' ' ' LEU . 2.2 tpt180 -60.59 -45.92 92.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . 0.465 ' HA ' ' H ' ' B' ' 594' ' ' GLU . 4.1 m -60.01 -36.61 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.531 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.974 HD12 ' HA ' ' C' ' 619' ' ' LEU . 5.7 mt -69.03 -34.69 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.63 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.741 HD11 HD11 ' A' ' 623' ' ' ILE . 1.1 mp -61.18 -45.29 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.282 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . 0.414 ' HB2' ' OE1' ' B' ' 594' ' ' GLU . 7.9 tt0 -65.49 -40.32 92.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -179.388 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -66.29 -39.06 89.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.034 179.814 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . . . . . . . . . 7.3 ttm -68.23 -41.51 81.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.983 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 7.9 ttmm -64.33 -42.49 96.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.83 -27.57 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 1.9 tt0 -67.28 -47.92 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.782 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 0.1 OUTLIER -63.67 -41.18 98.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.002 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.609 ' O ' HG13 ' C' ' 634' ' ' ILE . 18.3 mttt -59.83 -41.93 92.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -68.02 -42.93 79.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.945 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 93.2 mt-10 -61.46 -48.68 80.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.609 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.0 OUTLIER -65.81 -33.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.055 179.28 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' C' ' 638' ' ' LEU . 40.1 mttt -58.83 -48.8 80.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.448 -179.514 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -38.64 91.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.56 -45.85 88.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' C' ' 635' ' ' LYS . 2.6 mt -60.79 -45.79 93.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -35.75 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.76 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.29 -43.42 86.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.6 OUTLIER -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.758 179.571 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -45.04 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -40.01 96.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.232 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -35.57 81.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -65.29 -36.83 85.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -55.72 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.1 tt -58.22 -37.71 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.037 0.446 . . . . 0.0 111.202 -179.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.638 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -65.12 -43.76 90.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.021 -179.826 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' C' ' 653' ' ' MET . 2.9 mt -58.9 -41.29 86.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.42 93.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.705 HD22 ' HG2' ' A' ' 652' ' ' GLN . 45.6 tp -67.03 -39.2 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.745 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.688 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.0 mm-40 -57.61 -43.37 84.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' C' ' 649' ' ' LEU . 19.0 mmt -66.64 -41.19 88.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.668 ' O ' HG13 ' C' ' 658' ' ' ILE . 34.8 tt0 -61.3 -40.83 95.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.548 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.68 HG23 ' O ' ' C' ' 651' ' ' LEU . 43.1 t -65.34 -41.96 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -39.66 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -42.47 98.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.735 179.595 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.668 HG13 ' O ' ' C' ' 654' ' ' GLU . 10.3 mt -71.39 -35.27 56.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.721 -179.703 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -50.16 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' C' ' 660' ' ' LYS . 18.6 mtmt -69.02 -32.87 72.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -68.51 -40.53 80.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.581 ' HA ' ' HD3' ' C' ' 665' ' ' LYS . 1.3 tt -63.75 -33.37 75.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.33 -29.17 34.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 8.0 p -77.3 -17.75 58.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' C' ' 662' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . 0.479 ' N ' ' CA ' ' C' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.2 81.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.964 0.411 . . . . 0.0 110.644 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 1.8 tpt -135.23 123.73 23.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.622 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.796 ' HA ' ' HB3' ' C' ' 610' ' ' GLU . 3.7 mm-40 -72.7 135.62 45.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.706 -179.715 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.75 80.02 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.758 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.92 121.0 25.5 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.586 -0.153 . . . . 0.0 110.586 179.841 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -85.14 147.92 10.35 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.672 2.248 . . . . 0.0 113.026 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' C' ' 608' ' ' ALA . 0.4 OUTLIER -157.81 124.05 4.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.055 0.455 . . . . 0.0 111.409 -179.881 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.81 106.78 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.687 ' H ' ' HD2' ' A' ' 601' ' ' PRO . 2.1 mm-40 -134.83 -60.39 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.978 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.687 ' HD2' ' H ' ' A' ' 600' ' ' GLU . 68.0 Cg_endo -74.07 123.24 8.21 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.446 2.097 . . . . 0.0 112.353 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -90.83 96.3 10.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.37 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . 0.478 ' CA ' ' N ' ' B' ' 591' ' ' GLY . . . -142.13 169.51 17.44 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.358 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' B' ' 601' ' ' PRO . 1.3 m -54.21 -37.62 64.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 2.1 t -62.1 -48.05 81.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.835 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.37 84.6 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.23 77.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.25 -36.53 83.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.471 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.52 -29.83 46.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.786 ' HB3' ' HA ' ' B' ' 594' ' ' GLU . 1.5 mt-10 -68.07 -41.04 82.53 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.17 0.509 . . . . 0.0 111.74 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.91 99.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.858 HD21 ' HA ' ' B' ' 613' ' ' ARG . 10.0 mt -66.03 -38.53 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.078 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.856 ' HA ' HD21 ' C' ' 612' ' ' LEU . 0.1 OUTLIER -56.08 -47.01 78.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.003 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.22 -41.51 98.46 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.409 ' HG3' ' NH1' ' B' ' 620' ' ' ARG . 31.6 tt0 -69.64 -36.01 75.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.937 0.399 . . . . 0.0 111.15 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.825 HG21 HD22 ' C' ' 612' ' ' LEU . 67.5 t -66.39 -46.44 86.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.05 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.347 -179.752 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -35.82 81.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.621 HD23 HD11 ' B' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.88 93.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.782 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.615 ' HB2' HD11 ' C' ' 619' ' ' LEU . 11.9 ttm180 -65.79 -36.25 83.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.31 -30.25 70.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 626' ' ' MET . 6.0 mt -69.85 -44.29 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.068 0.461 . . . . 0.0 111.626 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.699 HD13 HG12 ' C' ' 623' ' ' ILE . 3.8 mt -63.74 -35.57 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.243 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -42.83 78.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 -179.385 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.6 -40.63 76.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.983 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.482 ' SD ' HG22 ' B' ' 623' ' ' ILE . 9.5 mtt -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.434 ' HD3' ' HE2' ' A' ' 631' ' ' LYS . 0.9 OUTLIER -61.64 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -39.04 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.008 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.65 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -66.33 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.018 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.434 ' HE2' ' HD3' ' A' ' 627' ' ' LYS . 8.6 mmtt -66.37 -46.03 78.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -37.76 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.011 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.485 ' HB3' HG21 ' B' ' 634' ' ' ILE . 2.6 mm-40 -64.98 -46.98 79.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.998 0.428 . . . . 0.0 111.848 -179.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' C' ' 633' ' ' GLU . 1.7 mt -63.07 -37.98 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.072 179.234 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 638' ' ' LEU . 0.6 OUTLIER -63.99 -41.87 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.477 -179.551 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -35.17 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.947 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' B' ' 638' ' ' LEU . 4.6 mt -65.69 -44.67 85.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 635' ' ' LYS . 4.0 mt -61.72 -39.16 90.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -39.87 90.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.77 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.585 ' OE1' HD13 ' B' ' 641' ' ' LEU . 36.1 tt0 -67.94 -39.62 83.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.4 OUTLIER -64.46 -40.67 96.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.759 179.58 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.05 -32.44 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.501 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -64.62 -47.63 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.231 179.231 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.449 ' HG3' ' HE ' ' B' ' 648' ' ' ARG . 65.2 tt0 -65.52 -34.74 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.95 -40.16 88.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -40.27 89.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 643' ' ' GLU . 3.8 mt -70.63 -38.35 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.01 0.434 . . . . 0.0 111.202 -179.696 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 1.0 OUTLIER -68.12 -40.78 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.991 -179.832 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -43.81 91.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -67.08 -34.27 77.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.654 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.618 ' HG ' ' HG3' ' B' ' 652' ' ' GLN . 0.3 OUTLIER -60.34 -46.94 88.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.627 ' HA ' HD21 ' C' ' 651' ' ' LEU . 2.3 tt0 -59.21 -40.42 85.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.198 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.53 -31.13 71.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 111.344 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 658' ' ' ILE . 22.6 tt0 -67.88 -48.7 65.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.539 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 651' ' ' LEU . 2.9 t -63.11 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.17 -39.16 89.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.96 55.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 654' ' ' GLU . 2.2 tt -64.2 -28.31 44.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.671 -179.658 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' C' ' 658' ' ' ILE . 0.1 OUTLIER -70.7 -44.45 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.041 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.56 80.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.28 59.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.4 HD22 HG13 ' C' ' 658' ' ' ILE . 0.2 OUTLIER -65.93 -31.18 71.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.504 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -28.53 44.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m -70.48 -39.17 74.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.073 -0.965 . . . . 0.0 111.103 179.931 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . 0.478 ' N ' ' CA ' ' A' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 81.5 1.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.911 0.386 . . . . 0.0 110.59 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 1.8 tpt -135.2 123.74 23.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.593 -179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.786 ' HA ' ' HB3' ' A' ' 610' ' ' GLU . 3.7 mm-40 -72.68 135.57 45.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.63 0.252 . . . . 0.0 110.733 -179.812 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 77.56 16.55 80.12 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.754 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.79 121.04 25.62 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -85.32 147.99 10.15 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.52 2.147 . . . . 0.0 112.968 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.73 123.98 4.8 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.994 0.426 . . . . 0.0 111.508 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.83 106.87 6.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.504 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.69 ' H ' ' HD2' ' B' ' 601' ' ' PRO . 2.2 mm-40 -134.84 -60.35 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.042 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.69 ' HD2' ' H ' ' B' ' 600' ' ' GLU . 67.1 Cg_endo -74.16 123.28 8.19 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.439 2.093 . . . . 0.0 112.398 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -90.88 96.31 10.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.364 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . 0.469 ' CA ' ' N ' ' C' ' 591' ' ' GLY . . . -142.2 169.48 17.5 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.331 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . 0.436 ' HB2' ' HD2' ' C' ' 601' ' ' PRO . 1.3 m -54.09 -37.64 64.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -179.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.0 t -62.01 -48.08 81.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -37.3 84.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.18 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' C' ' 598' ' ' LYS . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.398 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.51 -29.87 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.804 ' HB3' ' HA ' ' C' ' 594' ' ' GLU . 1.5 mt-10 -68.06 -40.96 82.68 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.206 0.527 . . . . 0.0 111.836 179.597 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.89 99.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.447 179.4 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.855 HD21 ' HA ' ' C' ' 613' ' ' ARG . 10.0 mt -65.92 -38.56 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.858 ' HA ' HD21 ' A' ' 612' ' ' LEU . 0.1 OUTLIER -56.12 -46.95 78.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.748 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.604 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.405 ' HG3' ' NH1' ' C' ' 620' ' ' ARG . 31.6 tt0 -69.63 -36.12 75.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 111.086 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 612' ' ' LEU . 68.6 t -66.31 -46.48 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -63.28 -45.31 92.0 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.362 -179.768 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -35.77 81.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.629 HD23 HD11 ' C' ' 623' ' ' ILE . 0.0 OUTLIER -59.68 -43.89 93.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 -179.805 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.618 ' HB2' HD11 ' A' ' 619' ' ' LEU . 11.9 ttm180 -65.84 -36.21 82.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.35 -30.3 70.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.62 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' B' ' 626' ' ' MET . 6.1 mt -69.83 -44.3 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.635 -179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.681 HG12 HD13 ' C' ' 623' ' ' ILE . 3.9 mt -63.75 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.85 79.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.52 -40.68 76.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.03 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.484 ' SD ' HG22 ' C' ' 623' ' ' ILE . 9.5 mtt -62.97 -40.04 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.419 ' HD3' ' HE2' ' B' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.75 98.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.044 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.86 -39.05 90.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.075 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.99 -47.68 79.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.478 ' O ' HD12 ' B' ' 634' ' ' ILE . 0.0 OUTLIER -66.38 -32.13 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.717 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.419 ' HE2' ' HD3' ' B' ' 627' ' ' LYS . 8.5 mmtt -66.48 -46.0 77.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -37.84 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.032 179.649 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.503 ' HB3' HG21 ' C' ' 634' ' ' ILE . 2.6 mm-40 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.063 0.459 . . . . 0.0 111.885 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' A' ' 633' ' ' GLU . 1.7 mt -63.1 -37.98 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.03 179.281 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' B' ' 638' ' ' LEU . 0.6 OUTLIER -64.0 -41.85 97.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.462 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -35.14 80.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' C' ' 638' ' ' LEU . 4.6 mt -65.73 -44.66 85.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' B' ' 635' ' ' LYS . 4.1 mt -61.68 -39.31 90.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.082 -179.722 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -39.94 90.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.591 ' OE1' HD13 ' C' ' 641' ' ' LEU . 36.0 tt0 -67.91 -39.66 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.8 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.38 -40.76 96.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.778 179.524 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.94 -32.54 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.524 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.462 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.1 OUTLIER -64.56 -47.68 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.252 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.437 ' HG3' ' HE ' ' C' ' 648' ' ' ARG . 65.2 tt0 -65.48 -34.89 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.81 -40.16 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.4 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 643' ' ' GLU . 3.8 mt -70.56 -38.42 73.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 111.232 -179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.521 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.74 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.038 -179.82 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -43.92 91.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.764 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.89 -34.38 77.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.688 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.624 ' HG ' ' HG3' ' C' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.01 87.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.708 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.618 ' HG3' ' HG ' ' A' ' 651' ' ' LEU . 2.3 tt0 -59.1 -40.45 85.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.199 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.7 -30.93 71.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.338 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.564 ' O ' HG22 ' B' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.69 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 651' ' ' LEU . 2.8 t -63.08 -35.56 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 0.0 111.171 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.22 -39.06 89.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -52.99 55.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.746 179.547 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.564 HG22 ' O ' ' B' ' 654' ' ' GLU . 2.2 tt -64.16 -28.32 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.694 -179.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 658' ' ' ILE . 0.1 OUTLIER -70.64 -44.44 67.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.026 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -35.56 80.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.7 -37.28 59.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.306 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 658' ' ' ILE . 0.2 OUTLIER -66.1 -31.09 71.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 179.62 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -28.51 44.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 2.7 m -70.51 -39.18 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.025 179.992 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . 0.469 ' N ' ' CA ' ' B' ' 603' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 81.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.926 0.393 . . . . 0.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 1.8 tpt -135.28 123.74 23.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.541 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.804 ' HA ' ' HB3' ' B' ' 610' ' ' GLU . 3.7 mm-40 -72.59 135.5 45.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.754 -179.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.77 80.03 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.757 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.87 121.02 25.54 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -85.22 148.01 10.28 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.581 2.187 . . . . 0.0 113.016 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' B' ' 608' ' ' ALA . 0.4 OUTLIER -157.84 123.98 4.74 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.047 0.451 . . . . 0.0 111.438 -179.836 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.78 106.82 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.553 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.68 ' H ' ' HD2' ' C' ' 601' ' ' PRO . 2.1 mm-40 -134.84 -60.33 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.958 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.68 ' HD2' ' H ' ' C' ' 600' ' ' GLU . 66.8 Cg_endo -74.17 123.2 8.13 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.471 2.114 . . . . 0.0 112.38 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -90.84 96.32 10.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.399 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . 0.479 ' CA ' ' N ' ' A' ' 591' ' ' GLY . . . -142.18 169.55 17.37 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.34 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 601' ' ' PRO . 1.3 m -54.22 -37.57 64.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 -179.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 2.1 t -62.08 -48.04 81.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.34 84.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.09 77.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 598' ' ' LYS . . . -66.26 -36.58 83.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.449 -179.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.57 -29.78 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.517 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.796 ' HB3' ' HA ' ' A' ' 594' ' ' GLU . 1.5 mt-10 -68.1 -40.99 82.47 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 111.717 179.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.413 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 613' ' ' ARG . 10.0 mt -65.93 -38.54 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.855 ' HA ' HD21 ' B' ' 612' ' ' LEU . 0.1 OUTLIER -56.15 -46.89 79.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.019 -179.742 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . . . . . . . . . 1.2 p -62.3 -41.47 98.53 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.624 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.414 ' HG3' ' NH1' ' A' ' 620' ' ' ARG . 31.5 tt0 -69.67 -36.04 75.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.115 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.816 HG21 HD22 ' B' ' 612' ' ' LEU . 68.5 t -66.31 -46.45 87.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.255 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -63.35 -45.23 92.17 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.334 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.63 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 623' ' ' ILE . 0.0 OUTLIER -59.66 -43.93 93.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 -179.878 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' B' ' 619' ' ' LEU . 11.9 ttm180 -65.86 -36.25 82.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 7.7 t -67.36 -30.22 69.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.617 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' C' ' 626' ' ' MET . 6.0 mt -69.88 -44.25 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.662 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 623' ' ' ILE . 3.9 mt -63.74 -35.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.245 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -42.85 79.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.9 p -69.49 -40.72 76.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.003 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.477 ' SD ' HG22 ' A' ' 623' ' ' ILE . 9.5 mtt -62.94 -40.04 96.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.424 ' HD3' ' HE2' ' C' ' 631' ' ' LYS . 0.9 OUTLIER -61.61 -43.7 98.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -39.02 90.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -63.92 -47.68 79.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.482 ' O ' HD12 ' C' ' 634' ' ' ILE . 0.0 OUTLIER -66.35 -32.15 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.424 ' HE2' ' HD3' ' C' ' 627' ' ' LYS . 8.6 mmtt -66.46 -46.0 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -37.86 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.956 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' A' ' 634' ' ' ILE . 2.6 mm-40 -64.92 -47.03 79.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.083 0.468 . . . . 0.0 111.907 -178.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.503 HG21 ' HB3' ' B' ' 633' ' ' GLU . 1.7 mt -62.97 -38.0 80.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.106 179.193 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.557 ' HA ' HD12 ' C' ' 638' ' ' LEU . 0.6 OUTLIER -64.04 -41.84 97.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.43 -179.528 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.25 -35.22 80.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 638' ' ' LEU . 4.7 mt -65.65 -44.75 85.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.789 179.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' C' ' 635' ' ' LYS . 4.0 mt -61.59 -39.3 90.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.95 91.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.592 ' OE1' HD13 ' A' ' 641' ' ' LEU . 36.1 tt0 -67.95 -39.63 83.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.804 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.4 OUTLIER -64.4 -40.68 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 179.491 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.481 -179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.455 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.1 OUTLIER -64.61 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.205 179.276 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.441 ' HG3' ' HE ' ' A' ' 648' ' ' ARG . 65.2 tt0 -65.39 -34.95 79.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -59.74 -40.26 87.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -40.33 89.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.455 HG13 ' O ' ' C' ' 643' ' ' GLU . 3.8 mt -70.63 -38.38 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.072 0.463 . . . . 0.0 111.21 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.521 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 1.0 OUTLIER -68.07 -40.78 82.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.022 -179.84 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -43.9 91.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -66.94 -34.28 77.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.627 HD21 ' HA ' ' A' ' 652' ' ' GLN . 0.3 OUTLIER -60.32 -47.04 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.624 ' HG3' ' HG ' ' B' ' 651' ' ' LEU . 2.3 tt0 -59.16 -40.42 85.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.19 -179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 2.5 mmt -66.62 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 111.343 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.557 ' O ' HG22 ' C' ' 658' ' ' ILE . 22.7 tt0 -67.97 -48.7 65.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.522 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.516 HG23 ' O ' ' C' ' 651' ' ' LEU . 2.9 t -63.08 -35.58 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.14 -39.1 89.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -52.98 55.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.497 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 654' ' ' GLU . 2.2 tt -64.18 -28.33 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.674 -179.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.483 ' HA ' HD12 ' B' ' 658' ' ' ILE . 0.1 OUTLIER -70.66 -44.42 67.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.0 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -35.57 80.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -75.65 -37.23 59.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.384 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -31.18 71.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.521 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -28.5 44.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 2.8 m -70.46 -39.2 74.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.018 -179.949 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -65.07 135.99 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.644 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.06 174.1 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.551 -179.467 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' B' ' 621' ' ' SER . 4.8 tp10 -81.82 -50.32 9.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.704 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 116.92 -29.96 6.58 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.743 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.599 ' HE3' ' HA ' ' B' ' 618' ' ' GLU . 1.0 OUTLIER 56.6 70.97 1.26 Allowed Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 179.874 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.53 -17.02 6.5 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.556 2.171 . . . . 0.0 112.973 -179.522 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.533 ' HD3' HH11 ' B' ' 613' ' ' ARG . 0.2 OUTLIER -128.58 63.87 1.44 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.137 0.494 . . . . 0.0 111.517 -179.904 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.804 ' HA ' ' HG3' ' B' ' 617' ' ' ARG . 0.0 OUTLIER -75.94 -31.9 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.556 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.718 ' HG3' ' HD2' ' A' ' 601' ' ' PRO . 1.5 tp10 -90.35 144.23 30.62 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.978 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.718 ' HD2' ' HG3' ' A' ' 600' ' ' GLU . 67.4 Cg_endo -74.59 161.65 39.36 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.456 2.104 . . . . 0.0 112.39 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -65.76 155.46 36.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.403 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -56.92 -47.62 80.17 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.38 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 12.8 t -70.27 142.65 52.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 609' ' ' VAL . 11.2 m -68.13 -43.99 77.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.849 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -68.8 -38.87 80.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.794 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.437 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 605' ' ' SER . 3.5 t -66.34 -38.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 -179.536 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.5 -48.26 82.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.768 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.416 ' HA ' ' OG1' ' A' ' 614' ' ' THR . 51.4 mt-10 -70.61 -28.31 64.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.455 179.357 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 616' ' ' VAL . 0.0 OUTLIER -64.88 -49.89 68.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.793 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.568 ' HE ' HD22 ' C' ' 612' ' ' LEU . 7.7 tpp85 -64.51 -37.87 89.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.528 HG22 ' SD ' ' C' ' 599' ' ' MET . 21.5 p -71.56 -27.6 63.27 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.683 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -48.86 31.9 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 111.138 -179.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 612' ' ' LEU . 1.4 t -68.69 -36.7 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.799 ' HG3' ' HA ' ' C' ' 599' ' ' MET . 0.0 OUTLIER -63.61 -49.55 72.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.29 -179.709 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.586 ' HA ' ' HE3' ' C' ' 596' ' ' LYS . 0.3 OUTLIER -58.37 -43.76 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.968 179.705 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.807 HD21 HD13 ' B' ' 623' ' ' ILE . 19.6 tp -65.88 -36.78 84.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.481 ' HG2' HH22 ' A' ' 617' ' ' ARG . 0.0 OUTLIER -56.47 -42.62 78.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . 0.534 ' HA ' ' HB2' ' C' ' 594' ' ' GLU . 0.3 OUTLIER -63.21 -38.15 90.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.559 179.526 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 619' ' ' LEU . 24.7 mt -66.25 -36.71 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.591 -179.641 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.807 HD13 HD21 ' C' ' 619' ' ' LEU . 0.9 OUTLIER -62.76 -42.59 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -47.66 73.14 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.387 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.06 -40.29 97.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.545 ' HG2' ' NE2' ' B' ' 630' ' ' GLN . 5.7 ttm -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 630' ' ' GLN . 15.0 ttmm -62.16 -49.13 77.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.084 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -29.2 68.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.008 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.4 OUTLIER -64.26 -48.91 73.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 627' ' ' LYS . 3.1 pt20 -66.56 -31.96 73.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' A' ' 634' ' ' ILE . 24.6 mttm -67.42 -41.39 84.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.48 -42.22 65.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.936 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' B' ' 634' ' ' ILE . 80.0 mt-10 -60.93 -44.9 96.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 0.0 111.883 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 631' ' ' LYS . 1.5 pp -67.95 -33.86 63.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.073 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.75 -43.37 84.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.398 -179.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -44.83 76.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.88 -42.15 84.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -42.32 98.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -34.52 76.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' B' ' 641' ' ' LEU . 2.2 mt-10 -72.19 -36.5 69.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' C' ' 640' ' ' GLU . 0.6 OUTLIER -71.2 -38.7 72.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.757 179.579 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . 0.479 ' O ' ' HD3' ' A' ' 646' ' ' LYS . 15.6 m-20 -63.57 -47.14 82.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.92 -34.24 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.286 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.401 ' HG2' HH21 ' B' ' 648' ' ' ARG . 0.0 OUTLIER -64.46 -36.52 84.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.46 -33.39 62.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 650' ' ' ARG . 0.3 OUTLIER -63.34 -45.69 90.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -179.664 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 2.0 tt -72.94 -38.52 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 648' ' ' ARG . 1.6 tmm_? -62.59 -42.19 99.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.059 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.65 -42.73 99.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.789 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 646' ' ' LYS . 1.8 mmp_? -60.45 -37.77 82.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.701 HD22 ' HG2' ' B' ' 652' ' ' GLN . 22.6 tp -66.63 -39.4 88.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.687 ' HG2' HD22 ' C' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.84 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.127 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -44.4 89.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.323 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -58.95 -44.68 91.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.551 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.626 HG21 HD11 ' C' ' 651' ' ' LEU . 17.8 t -60.93 -40.72 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -34.37 77.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -44.39 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.798 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.512 HG21 HG22 ' B' ' 658' ' ' ILE . 6.6 mt -65.81 -38.06 81.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.742 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.24 83.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -34.55 76.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' B' ' 662' ' ' LEU . . . -70.15 -36.24 74.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' C' ' 661' ' ' ALA . 0.6 OUTLIER -74.0 -31.09 62.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.531 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . 0.405 ' HA ' HE21 ' A' ' 663' ' ' GLN . 0.0 OUTLIER -76.65 -37.79 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.0 p -71.84 -43.35 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.73 ' HG3' ' OXT' ' A' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -64.97 135.94 56.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.887 0.375 . . . . 0.0 110.646 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.02 174.06 6.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.62 -179.571 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.551 ' HB2' ' HA ' ' C' ' 621' ' ' SER . 4.7 tp10 -81.75 -50.32 9.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.697 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 116.87 -29.96 6.59 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.749 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.592 ' HE3' ' HA ' ' C' ' 618' ' ' GLU . 1.0 OUTLIER 56.67 70.9 1.28 Allowed Pre-proline 0 CA--C 1.532 0.278 0 N-CA-C 110.623 -0.139 . . . . 0.0 110.623 179.835 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.44 -16.99 6.62 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.596 2.197 . . . . 0.0 113.011 -179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.544 ' HD3' HH11 ' C' ' 613' ' ' ARG . 0.2 OUTLIER -128.57 63.78 1.44 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.031 0.443 . . . . 0.0 111.449 -179.81 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.777 ' HA ' ' HG3' ' C' ' 617' ' ' ARG . 0.0 OUTLIER -76.0 -31.79 59.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.54 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.692 ' HG3' ' HD2' ' B' ' 601' ' ' PRO . 1.5 tp10 -90.41 144.28 30.6 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.972 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.692 ' HD2' ' HG3' ' B' ' 600' ' ' GLU . 67.1 Cg_endo -74.6 161.67 39.3 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.474 2.116 . . . . 0.0 112.378 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -65.78 155.54 35.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.358 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.58 80.55 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.328 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 12.8 t -70.3 142.69 52.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 -179.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.587 ' O ' HG23 ' B' ' 609' ' ' VAL . 11.5 m -68.14 -43.97 77.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.92 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.87 -38.77 79.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.78 88.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.94 75.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.434 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 605' ' ' SER . 3.5 t -66.42 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.594 -179.553 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.3 -48.44 81.6 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.193 0.52 . . . . 0.0 111.791 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.41 ' HA ' ' OG1' ' B' ' 614' ' ' THR . 51.4 mt-10 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.436 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 616' ' ' VAL . 0.0 OUTLIER -64.85 -49.94 68.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.081 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.568 ' HE ' HD22 ' A' ' 612' ' ' LEU . 7.7 tpp85 -64.49 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.072 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.531 HG22 ' SD ' ' A' ' 599' ' ' MET . 21.5 p -71.58 -27.62 63.26 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.642 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -48.83 32.12 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.014 0.435 . . . . 0.0 111.157 -179.4 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 612' ' ' LEU . 1.4 t -68.66 -36.79 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.804 ' HG3' ' HA ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -63.49 -49.62 72.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.599 ' HA ' ' HE3' ' A' ' 596' ' ' LYS . 0.3 OUTLIER -58.38 -43.76 88.63 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.998 179.657 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.798 HD21 HD13 ' C' ' 623' ' ' ILE . 19.6 tp -65.8 -36.74 84.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.48 ' HG2' HH22 ' B' ' 617' ' ' ARG . 0.0 OUTLIER -56.49 -42.71 78.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.544 ' HA ' ' HB2' ' A' ' 594' ' ' GLU . 0.3 OUTLIER -63.18 -38.16 90.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.652 179.556 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 619' ' ' LEU . 25.2 mt -66.27 -36.65 77.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.807 HD13 HD21 ' A' ' 619' ' ' LEU . 0.9 OUTLIER -62.76 -42.6 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -47.61 73.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.398 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -40.27 97.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.537 ' HG2' ' NE2' ' C' ' 630' ' ' GLN . 5.7 ttm -67.91 -40.89 83.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' B' ' 630' ' ' GLN . 15.0 ttmm -62.04 -49.27 76.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -29.07 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.4 OUTLIER -64.33 -48.89 73.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.788 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 627' ' ' LYS . 3.1 pt20 -66.49 -32.0 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' B' ' 634' ' ' ILE . 24.6 mttm -67.48 -41.29 84.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.5 -42.26 65.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.941 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.487 ' HB3' HG21 ' C' ' 634' ' ' ILE . 80.1 mt-10 -60.85 -44.9 96.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 111.882 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' B' ' 631' ' ' LYS . 1.5 pp -68.01 -33.85 63.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.072 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -66.8 -43.32 84.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.93 76.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.9 -42.17 84.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.736 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -42.3 98.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.991 0.425 . . . . 0.0 111.221 -179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -34.53 76.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' C' ' 641' ' ' LEU . 2.2 mt-10 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.013 0.435 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 640' ' ' GLU . 0.6 OUTLIER -71.21 -38.72 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.78 179.554 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' B' ' 646' ' ' LYS . 15.6 m-20 -63.51 -47.17 82.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.471 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.23 77.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.213 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -36.51 84.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.44 -33.38 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 650' ' ' ARG . 0.3 OUTLIER -63.39 -45.64 90.1 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 -179.637 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.98 -38.49 56.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 111.174 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.401 HH21 ' HG2' ' A' ' 644' ' ' GLU . 1.6 tmm_? -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.049 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.6 -42.78 99.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.77 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 646' ' ' LYS . 1.8 mmp_? -60.38 -37.92 82.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.696 HD22 ' HG2' ' C' ' 652' ' ' GLN . 22.6 tp -66.51 -39.38 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.771 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.701 ' HG2' HD22 ' A' ' 651' ' ' LEU . 3.5 mt-30 -55.88 -41.79 74.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 -179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.323 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.407 ' OE2' HG12 ' C' ' 655' ' ' VAL . 21.0 tt0 -59.03 -44.65 91.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.471 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.634 HG21 HD11 ' A' ' 651' ' ' LEU . 18.0 t -60.93 -40.73 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -34.32 77.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.36 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 179.559 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.517 HG21 HG22 ' C' ' 658' ' ' ILE . 6.6 mt -65.79 -38.07 81.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.65 -179.7 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -44.16 83.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -34.58 76.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' C' ' 662' ' ' LEU . . . -70.08 -36.21 74.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.355 -179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 661' ' ' ALA . 0.6 OUTLIER -74.03 -31.15 62.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 179.549 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' B' ' 663' ' ' GLN . 0.0 OUTLIER -76.61 -37.92 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p -71.67 -43.48 65.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . 0.727 ' HG3' ' OXT' ' B' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.05 -0.976 . . . . 0.0 111.069 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -65.05 136.07 56.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.882 0.372 . . . . 0.0 110.69 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.16 174.13 6.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.539 -179.496 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 621' ' ' SER . 4.8 tp10 -81.79 -50.29 9.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.717 -179.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 116.89 -29.96 6.58 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.699 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.586 ' HE3' ' HA ' ' A' ' 618' ' ' GLU . 1.0 OUTLIER 56.65 70.91 1.27 Allowed Pre-proline 0 CA--C 1.533 0.291 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 179.849 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.44 -17.01 6.61 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.578 2.185 . . . . 0.0 113.033 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.543 ' HD3' HH11 ' A' ' 613' ' ' ARG . 0.2 OUTLIER -128.56 63.82 1.44 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.004 0.431 . . . . 0.0 111.454 -179.827 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.799 ' HA ' ' HG3' ' A' ' 617' ' ' ARG . 0.0 OUTLIER -75.92 -31.94 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.533 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.715 ' HG3' ' HD2' ' C' ' 601' ' ' PRO . 1.5 tp10 -90.37 144.26 30.62 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.715 ' HD2' ' HG3' ' C' ' 600' ' ' GLU . 67.1 Cg_endo -74.58 161.65 39.38 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.462 2.108 . . . . 0.0 112.382 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -65.82 155.45 36.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.427 -179.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.57 80.39 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 12.9 t -70.26 142.66 52.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.601 ' O ' HG23 ' C' ' 609' ' ' VAL . 11.2 m -68.12 -43.99 77.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -68.83 -38.82 80.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.88 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.05 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.601 HG23 ' O ' ' C' ' 605' ' ' SER . 3.5 t -66.41 -38.85 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.635 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.34 -48.45 81.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.166 0.508 . . . . 0.0 111.771 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.412 ' HA ' ' OG1' ' C' ' 614' ' ' THR . 51.4 mt-10 -70.56 -28.21 64.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.524 179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.72 ' O ' HG23 ' C' ' 616' ' ' VAL . 0.0 OUTLIER -65.0 -49.88 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.087 -179.765 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.583 ' HE ' HD22 ' B' ' 612' ' ' LEU . 7.7 tpp85 -64.49 -37.83 88.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.034 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.529 HG22 ' SD ' ' B' ' 599' ' ' MET . 21.4 p -71.69 -27.49 63.07 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.695 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -48.96 31.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.97 0.414 . . . . 0.0 111.141 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.72 HG23 ' O ' ' C' ' 612' ' ' LEU . 1.4 t -68.6 -36.74 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.227 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.777 ' HG3' ' HA ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -63.59 -49.51 73.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.327 -179.727 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.592 ' HA ' ' HE3' ' B' ' 596' ' ' LYS . 0.3 OUTLIER -58.4 -43.73 88.68 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.002 179.653 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.807 HD21 HD13 ' A' ' 623' ' ' ILE . 19.6 tp -65.88 -36.7 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.474 ' HG2' HH22 ' C' ' 617' ' ' ARG . 0.0 OUTLIER -56.52 -42.67 78.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.893 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . 0.551 ' HA ' ' HB2' ' B' ' 594' ' ' GLU . 0.3 OUTLIER -63.11 -38.17 90.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.475 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' C' ' 619' ' ' LEU . 25.0 mt -66.28 -36.74 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.581 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.798 HD13 HD21 ' B' ' 619' ' ' LEU . 0.9 OUTLIER -62.68 -42.63 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -47.73 73.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.269 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 16.8 m -63.03 -40.37 97.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.998 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.529 ' HG2' ' NE2' ' A' ' 630' ' ' GLN . 5.6 ttm -67.82 -40.83 83.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' C' ' 630' ' ' GLN . 15.1 ttmm -62.09 -49.27 76.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.41 -29.23 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.047 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.4 OUTLIER -64.19 -48.88 74.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' C' ' 627' ' ' LYS . 3.1 pt20 -66.54 -31.9 72.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.014 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.579 ' O ' HG13 ' C' ' 634' ' ' ILE . 24.5 mttm -67.47 -41.4 84.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -72.41 -42.18 65.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.02 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.489 ' HB3' HG21 ' A' ' 634' ' ' ILE . 80.1 mt-10 -60.98 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 111.861 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.579 HG13 ' O ' ' C' ' 631' ' ' LYS . 1.5 pp -68.05 -33.76 62.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.112 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -66.82 -43.32 84.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -44.82 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.03 -42.08 84.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -42.25 98.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -34.58 76.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.855 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 641' ' ' LEU . 2.2 mt-10 -72.12 -36.57 69.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.993 0.425 . . . . 0.0 110.839 179.879 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 640' ' ' GLU . 0.6 OUTLIER -71.18 -38.73 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.599 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' C' ' 646' ' ' LYS . 15.4 m-20 -63.55 -47.09 82.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.476 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.01 -34.19 77.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.283 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.912 179.799 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.765 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' C' ' 650' ' ' ARG . 0.3 OUTLIER -63.4 -45.64 90.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.242 -179.599 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 1.9 tt -72.89 -38.47 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.092 0.472 . . . . 0.0 111.233 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.64 -42.21 99.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.59 -42.72 99.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' C' ' 646' ' ' LYS . 1.8 mmp_? -60.46 -37.85 82.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.706 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.687 HD22 ' HG2' ' A' ' 652' ' ' GLN . 22.4 tp -66.57 -39.37 88.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.696 ' HG2' HD22 ' B' ' 651' ' ' LEU . 3.5 mt-30 -55.86 -41.83 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.121 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -44.36 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.327 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.407 ' OE2' HG12 ' A' ' 655' ' ' VAL . 21.0 tt0 -58.98 -44.69 91.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.499 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.636 HG21 HD11 ' B' ' 651' ' ' LEU . 17.7 t -60.97 -40.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.74 -44.25 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.517 HG22 HG21 ' B' ' 658' ' ' ILE . 6.7 mt -65.94 -38.01 81.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.661 -179.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.19 83.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -34.58 76.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . 0.497 ' HB1' HD21 ' A' ' 662' ' ' LEU . . . -70.02 -36.23 74.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.503 HD21 ' HB1' ' B' ' 661' ' ' ALA . 0.6 OUTLIER -74.13 -31.08 62.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.617 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . 0.4 ' HA ' HE21 ' C' ' 663' ' ' GLN . 0.0 OUTLIER -76.67 -37.82 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 4.9 p -71.78 -43.46 65.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . 0.711 ' HG3' ' OXT' ' C' ' 665' ' ' LYS . 7.5 ptmt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.3 -40.77 64.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.954 0.407 . . . . 0.0 110.647 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.552 ' HG2' HG21 ' B' ' 614' ' ' THR . 1.6 mtt -135.03 144.45 47.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.522 -179.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.701 ' HB3' ' HG3' ' A' ' 597' ' ' PRO . 15.2 tt0 -99.86 22.82 10.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.767 -179.76 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.32 31.38 34.3 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.764 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER 50.48 57.78 17.41 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 110.607 -0.146 . . . . 0.0 110.607 179.832 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.701 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 92.4 Cg_endo -87.91 8.62 4.09 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.62 2.213 . . . . 0.0 113.081 -179.598 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' B' ' 613' ' ' ARG . 0.1 OUTLIER -130.81 137.26 49.34 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.076 0.465 . . . . 0.0 111.431 -179.808 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.472 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 3.0 tpt -115.36 153.12 31.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.485 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 599' ' ' MET . 0.1 OUTLIER -88.54 104.85 8.06 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.932 179.864 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 599' ' ' MET . 67.6 Cg_endo -73.06 -20.47 21.73 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.476 2.117 . . . . 0.0 112.445 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 608' ' ' ALA . . . -71.57 124.22 24.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.425 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.75 78.35 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.34 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.0 145.14 25.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 -179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.67 ' O ' HG23 ' A' ' 609' ' ' VAL . 4.7 m -66.54 -37.33 84.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.912 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.57 -37.31 82.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.74 83.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.577 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -61.49 -32.66 72.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.442 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 605' ' ' SER . 82.4 t -60.88 -40.12 84.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.519 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.65 -39.63 74.05 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.186 0.517 . . . . 0.0 111.761 179.645 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.639 ' O ' HG22 ' A' ' 614' ' ' THR . 12.5 mt-10 -63.35 -42.63 98.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.492 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.806 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.1 mm? -65.33 -36.55 84.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.751 0.31 . . . . 0.0 111.056 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.822 ' HG2' HD21 ' C' ' 612' ' ' LEU . 10.4 mtt180 -59.29 -45.35 91.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 -179.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 611' ' ' GLU . 1.3 t -67.59 -28.15 67.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.656 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 611' ' ' GLU . 45.2 mm-40 -68.51 -48.15 65.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.155 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.437 HG11 ' HB2' ' C' ' 615' ' ' GLN . 2.5 m -65.34 -41.91 92.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.465 ' HG2' ' HG2' ' C' ' 597' ' ' PRO . 2.3 tpp180 -61.41 -45.49 94.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.287 -179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 622' ' ' ILE . 6.3 tp10 -66.55 -30.92 71.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 615' ' ' GLN . 28.2 mt -70.1 -39.85 75.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.997 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.657 HH11 ' HB2' ' A' ' 620' ' ' ARG . 0.1 OUTLIER -60.07 -44.99 94.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.822 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 625' ' ' THR . 2.9 p -67.69 -34.49 77.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.534 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' A' ' 626' ' ' MET . 1.4 mt -62.42 -46.86 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' B' ' 623' ' ' ILE . 3.1 mt -67.17 -41.8 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.296 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.33 -49.33 77.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 621' ' ' SER . 44.9 p -63.8 -49.9 71.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.02 179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 622' ' ' ILE . 3.9 mtt -59.2 -33.13 70.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.523 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 1.5 tmtm? -73.11 -39.21 65.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -47.58 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.67 -47.31 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -39.81 91.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.04 -42.58 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.956 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.712 ' HB3' HG21 ' B' ' 634' ' ' ILE . 3.9 mm-40 -61.57 -37.97 85.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 111.904 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.728 ' O ' HD12 ' A' ' 638' ' ' LEU . 2.3 mt -69.85 -41.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.045 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -43.15 97.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -35.01 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.589 ' HG ' ' HG ' ' B' ' 638' ' ' LEU . 0.2 OUTLIER -64.42 -46.57 82.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 179.697 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.1 mt -60.22 -41.95 94.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -41.16 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.411 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.2 tt0 -62.76 -41.71 99.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.445 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.1 OUTLIER -62.36 -43.41 98.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.768 179.615 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -36.83 75.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.489 -179.345 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -66.87 -46.38 75.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.28 179.248 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.583 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 2.4 tt0 -64.74 -34.69 78.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.814 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' C' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.11 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.761 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.43 -49.44 75.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.592 HG22 HE22 ' B' ' 652' ' ' GLN . 2.8 mt -66.25 -38.41 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 120.998 0.428 . . . . 0.0 111.198 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.7 ttp-105 -63.58 -39.95 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.69 -38.53 89.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.759 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 650' ' ' ARG . 0.0 OUTLIER -66.1 -46.38 77.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.685 179.931 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 655' ' ' VAL . 18.0 tp -59.79 -35.68 75.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.724 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.4 OUTLIER -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -46.96 78.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 658' ' ' ILE . 1.0 OUTLIER -62.39 -38.42 89.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.565 179.617 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 651' ' ' LEU . 69.7 t -60.82 -42.87 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -179.566 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.72 -40.16 96.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.35 -36.42 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 654' ' ' GLU . 56.1 mt -68.93 -45.23 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.647 -179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.523 ' HG3' HG12 ' C' ' 658' ' ' ILE . 9.4 tttm -64.97 -41.67 95.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 111.071 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.39 88.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.0 76.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.367 -179.788 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.48 -36.88 76.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 38.0 mt-30 -74.57 -34.77 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.42 -35.17 58.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.124 -0.941 . . . . 0.0 111.067 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.44 -40.68 64.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . 0.543 ' HG2' HG21 ' C' ' 614' ' ' THR . 1.5 mtt -134.97 144.45 47.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.553 -179.473 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.698 ' HB3' ' HG3' ' B' ' 597' ' ' PRO . 15.2 tt0 -99.88 22.75 10.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.735 -179.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.33 31.43 34.12 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.738 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER 50.44 57.83 17.41 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 110.591 -0.151 . . . . 0.0 110.591 179.813 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.698 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 94.0 Cg_endo -88.03 8.73 4.02 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.572 2.181 . . . . 0.0 112.973 -179.554 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' C' ' 613' ' ' ARG . 0.1 OUTLIER -130.85 137.21 49.28 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.081 0.467 . . . . 0.0 111.435 -179.888 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.475 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 3.0 tpt -115.26 153.13 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.58 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' B' ' 599' ' ' MET . 0.1 OUTLIER -88.54 104.89 8.12 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' B' ' 599' ' ' MET . 66.8 Cg_endo -73.14 -20.38 21.64 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.455 2.104 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' B' ' 608' ' ' ALA . . . -71.63 124.21 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.385 -179.783 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.78 78.39 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.334 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.98 145.07 25.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.652 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.687 ' O ' HG23 ' B' ' 609' ' ' VAL . 4.6 m -66.47 -37.43 85.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -67.47 -37.33 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.25 -42.75 83.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.593 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -61.56 -32.59 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.453 -179.756 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 605' ' ' SER . 81.6 t -60.94 -40.12 84.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.607 -179.598 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.68 -39.65 74.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.708 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.653 ' O ' HG22 ' B' ' 614' ' ' THR . 12.6 mt-10 -63.34 -42.69 98.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.49 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.827 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -65.21 -36.57 84.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.806 ' HG2' HD21 ' A' ' 612' ' ' LEU . 10.4 mtt180 -59.37 -45.3 91.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 611' ' ' GLU . 1.3 t -67.65 -28.13 67.46 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.6 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 611' ' ' GLU . 45.2 mm-40 -68.45 -48.24 65.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 111.16 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 615' ' ' GLN . 2.5 m -65.26 -41.94 92.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.458 ' HG2' ' HG2' ' A' ' 597' ' ' PRO . 2.3 tpp180 -61.41 -45.4 94.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.286 -179.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.459 ' O ' HD12 ' B' ' 622' ' ' ILE . 6.3 tp10 -66.58 -30.9 71.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.014 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 615' ' ' GLN . 28.3 mt -70.14 -39.84 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.667 HH11 ' HB2' ' B' ' 620' ' ' ARG . 0.1 OUTLIER -60.19 -44.93 94.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . 0.711 ' O ' HG23 ' B' ' 625' ' ' THR . 2.9 p -67.72 -34.47 76.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 179.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.553 HG23 ' SD ' ' B' ' 626' ' ' MET . 1.4 mt -62.46 -46.8 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.989 0.423 . . . . 0.0 111.574 -179.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.28 -41.8 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.28 -49.34 77.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.27 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . 0.711 HG23 ' O ' ' B' ' 621' ' ' SER . 44.9 p -63.78 -50.01 70.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.553 ' SD ' HG23 ' B' ' 622' ' ' ILE . 3.9 mtt -59.08 -33.16 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.5 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 1.5 tmtm? -73.06 -39.25 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.52 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -38.69 92.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.419 ' HB3' ' NE2' ' A' ' 630' ' ' GLN . 1.5 tp-100 -65.57 -47.37 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.975 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.7 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -62.08 -42.54 99.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.948 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.725 ' HB3' HG21 ' C' ' 634' ' ' ILE . 3.9 mm-40 -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 111.853 -178.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.726 ' O ' HD12 ' B' ' 638' ' ' LEU . 2.3 mt -69.89 -41.02 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.056 179.267 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -43.06 97.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.518 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -35.04 79.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.985 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.592 ' HG ' ' HG ' ' C' ' 638' ' ' LEU . 0.2 OUTLIER -64.35 -46.56 82.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.778 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.726 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.1 mt -60.27 -41.93 94.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.678 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.413 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.2 tt0 -62.71 -41.73 99.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.26 -43.55 98.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.732 179.586 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.96 75.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.507 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.57 ' O ' HD12 ' B' ' 647' ' ' ILE . 0.7 OUTLIER -66.74 -46.49 75.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 179.23 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 2.4 tt0 -64.75 -34.65 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.575 ' HG2' ' HG3' ' A' ' 644' ' ' GLU . 10.5 mttm -66.23 -40.12 90.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 179.851 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.48 -49.32 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.595 HG22 HE22 ' C' ' 652' ' ' GLN . 2.8 mt -66.27 -38.44 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.052 0.453 . . . . 0.0 111.232 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.583 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -63.53 -39.99 95.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.042 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.61 -38.6 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 650' ' ' ARG . 0.0 OUTLIER -66.08 -46.36 77.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.696 179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.74 ' O ' HG23 ' B' ' 655' ' ' VAL . 17.9 tp -59.84 -35.59 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.738 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.702 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.4 OUTLIER -63.33 -39.44 94.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.165 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -46.97 78.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.627 ' O ' HG13 ' B' ' 658' ' ' ILE . 1.0 OUTLIER -62.37 -38.54 89.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.498 179.638 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 651' ' ' LEU . 70.1 t -60.72 -42.94 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.75 -40.11 95.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.38 -36.39 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.746 179.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 654' ' ' GLU . 55.8 mt -68.89 -45.22 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.755 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.535 ' HG3' HG12 ' A' ' 658' ' ' ILE . 9.4 tttm -65.0 -41.7 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -45.33 89.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.37 -33.99 76.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.42 -36.97 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' B' ' 659' ' ' LYS . 38.0 mt-30 -74.5 -34.81 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.35 -35.24 58.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.087 -0.958 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.587 -0.205 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.4 -40.72 64.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.657 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . 0.53 ' HG2' HG21 ' A' ' 614' ' ' THR . 1.5 mtt -134.96 144.45 47.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.539 -179.492 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.691 ' HB3' ' HG3' ' C' ' 597' ' ' PRO . 15.2 tt0 -99.89 22.85 10.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.757 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.28 31.39 34.39 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.809 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER 50.46 57.84 17.39 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 179.838 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.691 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 92.9 Cg_endo -88.03 8.69 4.04 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.567 2.178 . . . . 0.0 112.994 -179.535 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' A' ' 613' ' ' ARG . 0.1 OUTLIER -130.81 137.24 49.33 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.073 0.463 . . . . 0.0 111.468 -179.865 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.472 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 3.0 tpt -115.31 153.14 31.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' C' ' 599' ' ' MET . 0.1 OUTLIER -88.51 104.88 8.08 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.974 179.839 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' C' ' 599' ' ' MET . 66.7 Cg_endo -73.19 -20.34 21.57 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.419 2.079 . . . . 0.0 112.395 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' C' ' 608' ' ' ALA . . . -71.65 124.3 24.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.315 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.24 -34.78 78.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.385 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.02 145.07 25.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.643 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.686 ' O ' HG23 ' C' ' 609' ' ' VAL . 4.6 m -66.44 -37.36 84.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.946 -179.863 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -67.68 -37.23 82.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.26 -42.81 83.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.597 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -61.46 -32.64 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 605' ' ' SER . 81.7 t -60.97 -39.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.517 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.79 -39.51 74.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.138 0.494 . . . . 0.0 111.819 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.665 ' O ' HG22 ' C' ' 614' ' ' THR . 12.6 mt-10 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.442 179.386 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.822 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -65.23 -36.58 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.752 0.31 . . . . 0.0 111.13 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.827 ' HG2' HD21 ' B' ' 612' ' ' LEU . 10.4 mtt180 -59.38 -45.31 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.021 -179.784 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.665 HG22 ' O ' ' C' ' 611' ' ' GLU . 1.3 t -67.6 -28.14 67.5 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.638 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' C' ' 611' ' ' GLU . 45.2 mm-40 -68.47 -48.17 65.2 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.065 0.459 . . . . 0.0 111.186 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 615' ' ' GLN . 2.5 m -65.36 -41.84 92.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.466 ' HG2' ' HG2' ' B' ' 597' ' ' PRO . 2.3 tpp180 -61.51 -45.41 94.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.472 ' O ' HD12 ' C' ' 622' ' ' ILE . 6.3 tp10 -66.52 -30.92 71.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.63 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' C' ' 615' ' ' GLN . 28.1 mt -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.78 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.673 HH11 ' HB2' ' C' ' 620' ' ' ARG . 0.1 OUTLIER -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.86 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . 0.704 ' O ' HG23 ' C' ' 625' ' ' THR . 2.9 p -67.73 -34.42 76.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.646 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.548 HG23 ' SD ' ' C' ' 626' ' ' MET . 1.4 mt -62.56 -46.72 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.539 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.468 HG12 HG12 ' A' ' 623' ' ' ILE . 3.1 mt -67.29 -41.74 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.243 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.38 -49.29 77.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.434 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . 0.704 HG23 ' O ' ' C' ' 621' ' ' SER . 45.0 p -63.8 -49.98 70.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.548 ' SD ' HG23 ' C' ' 622' ' ' ILE . 3.9 mtt -59.22 -33.04 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 1.5 tmtm? -73.09 -39.25 65.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -47.49 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -38.63 91.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.723 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.415 ' HB3' ' NE2' ' B' ' 630' ' ' GLN . 1.5 tp-100 -65.56 -47.34 76.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.976 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.71 91.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -61.98 -42.61 99.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.999 179.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.711 ' HB3' HG21 ' A' ' 634' ' ' ILE . 3.9 mm-40 -61.48 -38.09 86.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 111.878 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.731 ' O ' HD12 ' C' ' 638' ' ' LEU . 2.3 mt -69.83 -40.99 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.156 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.1 97.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.466 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -35.01 79.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.59 HD22 HD22 ' B' ' 637' ' ' LEU . 0.2 OUTLIER -64.36 -46.6 82.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.595 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.731 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.1 mt -60.17 -41.94 93.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.204 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.23 91.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.417 ' HG2' HD22 ' A' ' 641' ' ' LEU . 31.2 tt0 -62.59 -41.75 99.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.029 0.443 . . . . 0.0 110.944 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.435 ' HA ' HD21 ' A' ' 641' ' ' LEU . 0.1 OUTLIER -62.34 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.808 179.582 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -36.84 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.55 -179.399 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.57 ' O ' HD12 ' C' ' 647' ' ' ILE . 0.7 OUTLIER -66.79 -46.45 75.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.21 179.207 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 2.4 tt0 -64.81 -34.64 78.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' B' ' 644' ' ' GLU . 10.5 mttm -66.22 -40.19 90.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -62.39 -49.42 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 -179.621 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.589 HG22 HE22 ' A' ' 652' ' ' GLN . 2.8 mt -66.28 -38.36 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.998 0.428 . . . . 0.0 111.223 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.559 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.7 ttp-105 -63.61 -39.87 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.76 -38.54 89.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' C' ' 650' ' ' ARG . 0.0 OUTLIER -66.01 -46.5 77.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.757 ' O ' HG23 ' C' ' 655' ' ' VAL . 17.9 tp -59.78 -35.61 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.753 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.708 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.4 OUTLIER -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.175 -179.795 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -47.06 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.327 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.628 ' O ' HG13 ' C' ' 658' ' ' ILE . 1.0 OUTLIER -62.29 -38.45 89.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.573 179.578 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.757 HG23 ' O ' ' C' ' 651' ' ' LEU . 69.9 t -60.86 -42.84 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -179.509 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.82 -40.03 95.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -36.46 84.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.628 HG13 ' O ' ' C' ' 654' ' ' GLU . 56.3 mt -68.99 -45.15 80.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.668 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.538 ' HG3' HG12 ' B' ' 658' ' ' ILE . 9.4 tttm -65.03 -41.62 95.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -45.34 88.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.34 -34.05 76.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.285 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 9.9 tt -69.45 -36.88 77.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.503 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' C' ' 659' ' ' LYS . 38.0 mt-30 -74.58 -34.74 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.38 -35.24 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.46 -38.23 49.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.663 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 28.2 mtt -147.51 158.99 44.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.586 -179.541 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.7 ' HB3' ' HG3' ' A' ' 597' ' ' PRO . 20.1 tt0 -107.09 10.7 30.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.761 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.26 16.4 50.29 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.739 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.708 ' HA ' ' HB ' ' B' ' 614' ' ' THR . 0.0 OUTLIER 70.11 59.96 0.52 Allowed Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 179.827 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.7 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 92.2 Cg_endo -86.31 -14.51 4.79 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.627 2.218 . . . . 0.0 112.98 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.591 ' HZ2' ' HB2' ' B' ' 617' ' ' ARG . 0.1 OUTLIER -107.87 148.23 29.88 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.016 0.436 . . . . 0.0 111.427 -179.806 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.512 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 4.2 tpt -121.33 150.78 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.634 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.591 ' HB3' ' HE ' ' B' ' 613' ' ' ARG . 1.3 pt-20 -85.04 105.31 6.22 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 599' ' ' MET . 67.8 Cg_endo -73.28 -16.32 24.94 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.453 2.102 . . . . 0.0 112.436 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.84 118.73 21.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.386 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.88 -35.74 81.63 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.043 0.449 . . . . 0.0 111.386 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 14.6 m -85.74 145.56 27.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 609' ' ' VAL . 4.0 m -63.58 -44.36 94.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.865 -179.811 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.38 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.32 85.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.743 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -69.17 -36.78 77.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.43 -179.701 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.762 HG11 ' HB1' ' C' ' 608' ' ' ALA . 74.6 t -66.49 -36.84 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.608 -179.561 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.63 84.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.15 0.5 . . . . 0.0 111.772 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 615' ' ' GLN . 3.5 mt-10 -60.17 -37.83 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.468 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.559 HD21 ' HG2' ' B' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.2 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.587 ' HE ' ' HB3' ' C' ' 600' ' ' GLU . 4.1 mmt180 -55.05 -46.44 75.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.7 ' HB ' ' HA ' ' C' ' 596' ' ' LYS . 5.2 t -69.34 -29.44 67.25 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.63 179.779 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 611' ' ' GLU . 2.0 mt-30 -68.83 -43.52 75.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.405 HG21 ' OE1' ' C' ' 615' ' ' GLN . 4.0 m -68.75 -37.28 77.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.598 ' HB2' ' HZ2' ' C' ' 598' ' ' LYS . 1.9 tpp180 -62.76 -49.74 73.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.342 -179.729 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 8.0 tp10 -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.676 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.681 ' HA ' HD12 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -61.12 -46.94 88.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 -179.776 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.44 ' HA ' HD12 ' A' ' 623' ' ' ILE . 1.0 OUTLIER -62.26 -34.31 76.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.856 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 5.9 m -67.4 -34.67 77.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 619' ' ' LEU . 9.1 mt -63.93 -44.78 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.619 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.485 ' H ' HG13 ' A' ' 623' ' ' ILE . 1.5 mt -66.17 -34.96 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.52 -50.79 62.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -45.81 91.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.977 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.589 ' SD ' HG22 ' A' ' 622' ' ' ILE . 3.9 mtt -61.2 -37.5 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.502 ' NZ ' ' HB3' ' C' ' 629' ' ' GLN . 0.0 OUTLIER -65.24 -41.72 94.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.085 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . 0.488 ' HB3' HH12 ' A' ' 632' ' ' ARG . 0.7 OUTLIER -63.86 -39.16 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.815 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.505 ' HB3' ' NZ ' ' B' ' 627' ' ' LYS . 7.2 tp-100 -60.92 -49.51 77.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' B' ' 631' ' ' LYS . 0.4 OUTLIER -61.56 -34.55 75.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.88 -32.05 68.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . 0.488 HH12 ' HB3' ' A' ' 628' ' ' ASP . 0.1 OUTLIER -65.51 -44.48 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.016 179.643 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.53 -39.3 88.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.048 0.451 . . . . 0.0 111.951 -179.054 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 638' ' ' LEU . 6.8 mt -63.59 -38.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.12 179.215 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -44.71 87.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.496 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -32.96 73.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' B' ' 638' ' ' LEU . 1.2 mt -66.05 -40.36 90.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 634' ' ' ILE . 1.5 mt -64.89 -38.16 90.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.113 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -38.51 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.727 ' HG2' HD22 ' B' ' 641' ' ' LEU . 65.9 tt0 -65.61 -42.87 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.833 ' HA ' HD21 ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.85 -43.42 96.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.795 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -34.17 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.519 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 647' ' ' ILE . 0.0 OUTLIER -66.38 -42.53 87.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.223 179.288 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.592 ' HG2' ' HD3' ' B' ' 648' ' ' ARG . 11.0 tt0 -72.18 -33.85 67.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.52 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -41.29 97.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.7 mt -70.97 -44.0 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 111.194 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.595 ' HD3' ' HG2' ' C' ' 644' ' ' GLU . 9.6 ttp-105 -58.75 -37.63 76.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.065 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.49 -44.78 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 650' ' ' ARG . 5.3 tmm_? -61.47 -34.68 75.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.918 ' O ' HG23 ' A' ' 655' ' ' VAL . 19.9 tp -66.07 -36.81 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.437 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.81 79.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.127 -179.791 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.42 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.278 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.82 87.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.495 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 651' ' ' LEU . 13.9 t -66.22 -47.96 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.175 -179.42 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.86 -46.82 83.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.5 mt -71.28 -35.93 59.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.658 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.74 -44.05 74.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.31 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.53 91.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.77 72.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.298 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' C' ' 662' ' ' LEU . 0.9 OUTLIER -63.67 -27.68 69.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 179.628 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -39.32 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -17.39 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 -38.31 50.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 28.3 mtt -147.45 158.98 44.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.591 -179.504 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.705 ' HB3' ' HG3' ' B' ' 597' ' ' PRO . 20.2 tt0 -107.1 10.72 30.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.734 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.23 50.72 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.775 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.684 ' HA ' ' HB ' ' C' ' 614' ' ' THR . 0.0 OUTLIER 70.17 60.02 0.51 Allowed Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 110.637 -0.135 . . . . 0.0 110.637 179.858 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.705 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.5 Cg_endo -86.4 -14.49 4.71 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.578 2.186 . . . . 0.0 112.958 -179.532 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.594 ' HZ2' ' HB2' ' C' ' 617' ' ' ARG . 0.1 OUTLIER -107.84 148.3 29.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.968 0.413 . . . . 0.0 111.514 -179.865 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.518 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 4.3 tpt -121.43 150.75 41.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.599 ' HB3' ' HE ' ' C' ' 613' ' ' ARG . 1.3 pt-20 -85.03 105.29 6.18 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.965 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.518 ' HD3' ' O ' ' B' ' 599' ' ' MET . 68.2 Cg_endo -73.27 -16.38 24.93 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.44 2.094 . . . . 0.0 112.426 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -79.85 118.75 21.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.43 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.67 81.46 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 14.6 m -85.76 145.6 27.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.232 -179.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 609' ' ' VAL . 3.9 m -63.51 -44.43 94.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.907 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.36 -42.33 96.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.3 85.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.742 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -69.05 -36.83 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.743 HG11 ' HB1' ' A' ' 608' ' ' ALA . 74.4 t -66.49 -36.85 78.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.43 -38.62 84.66 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 111.769 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' B' ' 615' ' ' GLN . 3.5 mt-10 -60.25 -37.73 81.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 179.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.543 HD21 ' HG2' ' C' ' 613' ' ' ARG . 4.2 mm? -70.81 -38.19 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.591 ' HE ' ' HB3' ' A' ' 600' ' ' GLU . 4.1 mmt180 -55.09 -46.5 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.044 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.708 ' HB ' ' HA ' ' A' ' 596' ' ' LYS . 5.2 t -69.33 -29.37 67.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.638 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 611' ' ' GLU . 2.0 mt-30 -68.85 -43.49 75.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.987 0.422 . . . . 0.0 111.087 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.403 HG21 ' OE1' ' A' ' 615' ' ' GLN . 4.0 m -68.79 -37.24 77.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.591 ' HB2' ' HZ2' ' A' ' 598' ' ' LYS . 2.0 tpp180 -62.83 -49.69 73.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.384 -179.737 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 8.1 tp10 -69.35 -29.62 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 179.646 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.703 ' HA ' HD12 ' B' ' 622' ' ' ILE . 0.2 OUTLIER -61.12 -46.99 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.985 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' B' ' 623' ' ' ILE . 1.0 OUTLIER -62.14 -34.42 76.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.38 -34.59 77.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 179.498 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' B' ' 619' ' ' LEU . 9.2 mt -63.95 -44.87 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.557 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.492 ' H ' HG13 ' B' ' 623' ' ' ILE . 1.5 mt -66.11 -35.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.17 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.4 -50.92 61.83 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.56 -45.87 90.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.597 ' SD ' HG22 ' B' ' 622' ' ' ILE . 3.9 mtt -61.22 -37.4 82.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 -179.864 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' A' ' 629' ' ' GLN . 0.0 OUTLIER -65.35 -41.66 93.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.847 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . 0.484 ' HB3' HH12 ' B' ' 632' ' ' ARG . 0.7 OUTLIER -63.81 -39.29 93.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.046 -179.868 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.499 ' HB3' ' NZ ' ' C' ' 627' ' ' LYS . 7.2 tp-100 -60.86 -49.46 77.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.741 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' C' ' 631' ' ' LYS . 0.4 OUTLIER -61.67 -34.56 75.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 -179.734 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.402 ' HG3' ' OE1' ' A' ' 630' ' ' GLN . 6.2 mttp -70.8 -32.07 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.484 HH12 ' HB3' ' B' ' 628' ' ' ASP . 0.1 OUTLIER -65.54 -44.37 87.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.022 179.642 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.65 -39.24 88.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 111.93 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.651 ' O ' HD12 ' B' ' 638' ' ' LEU . 6.9 mt -63.62 -38.45 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.14 179.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -44.82 87.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.44 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.527 HD21 ' HA ' ' C' ' 638' ' ' LEU . 1.2 mt -66.0 -40.41 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.651 HD12 ' O ' ' B' ' 634' ' ' ILE . 1.6 mt -64.85 -38.14 89.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -38.5 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.712 ' HG2' HD22 ' C' ' 641' ' ' LEU . 65.8 tt0 -65.62 -42.83 91.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' A' ' 641' ' ' LEU . 0.5 OUTLIER -63.89 -43.44 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.724 179.586 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.488 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.425 ' O ' HG13 ' B' ' 647' ' ' ILE . 0.0 OUTLIER -66.32 -42.52 88.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.298 179.237 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.592 ' HG2' ' HD3' ' C' ' 648' ' ' ARG . 11.0 tt0 -72.22 -33.89 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.46 -43.13 99.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.754 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.8 mt -71.01 -43.97 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 111.164 -179.637 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.592 ' HD3' ' HG2' ' A' ' 644' ' ' GLU . 9.6 ttp-105 -58.72 -37.69 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.063 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.44 -44.9 85.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.64 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 650' ' ' ARG . 5.3 tmm_? -61.42 -34.7 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.691 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.925 ' O ' HG23 ' B' ' 655' ' ' VAL . 19.9 tp -66.06 -36.79 84.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.741 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.447 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.1 OUTLIER -56.32 -43.82 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.108 -179.768 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -40.71 96.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.881 0.372 . . . . 0.0 111.367 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' B' ' 658' ' ' ILE . 0.4 OUTLIER -65.55 -37.83 87.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 179.569 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 651' ' ' LEU . 13.8 t -66.15 -48.0 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 -179.484 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.46 -28.7 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.91 -46.83 83.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.5 mt -71.28 -35.91 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.66 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.77 -44.05 74.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.43 90.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.66 72.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.301 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.598 ' HG ' HD11 ' C' ' 662' ' ' LEU . 0.9 OUTLIER -63.61 -27.71 69.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -39.32 62.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.67 -17.26 54.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.096 -0.954 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 -38.37 50.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.956 0.408 . . . . 0.0 110.668 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 28.2 mtt -147.5 159.05 44.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.548 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.681 ' HB3' ' HG3' ' C' ' 597' ' ' PRO . 20.1 tt0 -107.07 10.63 30.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.719 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.33 16.27 50.54 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.803 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.7 ' HA ' ' HB ' ' A' ' 614' ' ' THR . 0.0 OUTLIER 70.08 60.1 0.52 Allowed Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.634 -0.136 . . . . 0.0 110.634 179.903 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.681 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 93.5 Cg_endo -86.42 -14.5 4.68 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.569 2.179 . . . . 0.0 112.953 -179.52 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.598 ' HZ2' ' HB2' ' A' ' 617' ' ' ARG . 0.1 OUTLIER -107.86 148.33 29.72 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.006 0.431 . . . . 0.0 111.488 -179.859 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.513 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 4.3 tpt -121.37 150.74 41.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.599 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.587 ' HB3' ' HE ' ' A' ' 613' ' ' ARG . 1.3 pt-20 -85.04 105.36 6.34 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.958 179.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.513 ' HD3' ' O ' ' C' ' 599' ' ' MET . 66.5 Cg_endo -73.38 -16.34 24.68 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.421 2.081 . . . . 0.0 112.33 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' C' ' 607' ' ' ALA . . . -79.94 118.75 21.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.375 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -63.88 -35.74 81.65 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.385 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 14.6 m -85.67 145.61 27.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.178 -179.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.422 ' O ' HG23 ' C' ' 609' ' ' VAL . 4.0 m -63.52 -44.46 94.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -64.37 -42.32 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.405 ' HB3' ' HB1' ' C' ' 602' ' ' ALA . . . -62.28 -37.29 84.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -69.15 -36.74 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.742 HG11 ' HB1' ' B' ' 608' ' ' ALA . 74.2 t -66.54 -36.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.39 -38.6 84.46 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.131 0.491 . . . . 0.0 111.784 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' C' ' 615' ' ' GLN . 3.5 mt-10 -60.28 -37.76 81.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.41 179.446 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 613' ' ' ARG . 4.2 mm? -70.86 -38.16 73.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 111.092 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.599 ' HE ' ' HB3' ' B' ' 600' ' ' GLU . 4.1 mmt180 -55.05 -46.51 75.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.684 ' HB ' ' HA ' ' B' ' 596' ' ' LYS . 5.2 t -69.37 -29.42 67.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.631 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' C' ' 611' ' ' GLU . 2.0 mt-30 -68.81 -43.45 75.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.973 0.416 . . . . 0.0 111.163 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.405 HG21 ' OE1' ' B' ' 615' ' ' GLN . 4.0 m -68.87 -37.17 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.594 ' HB2' ' HZ2' ' B' ' 598' ' ' LYS . 2.0 tpp180 -62.9 -49.67 73.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.304 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.6 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 8.1 tp10 -69.38 -29.52 67.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' C' ' 622' ' ' ILE . 0.2 OUTLIER -61.22 -46.98 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.83 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.451 ' HA ' HD12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -62.12 -34.38 76.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.981 179.782 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 6.0 m -67.51 -34.54 77.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' C' ' 619' ' ' LEU . 9.2 mt -63.9 -44.85 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.652 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.5 mt -66.17 -34.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.219 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.53 -50.87 61.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -45.88 90.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.587 ' SD ' HG22 ' C' ' 622' ' ' ILE . 3.8 mtt -61.23 -37.43 83.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.499 ' NZ ' ' HB3' ' B' ' 629' ' ' GLN . 0.0 OUTLIER -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.858 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . 0.494 ' HB3' HH12 ' C' ' 632' ' ' ARG . 0.7 OUTLIER -63.89 -39.22 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.899 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.502 ' HB3' ' NZ ' ' A' ' 627' ' ' LYS . 7.2 tp-100 -60.85 -49.51 77.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.811 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -34.58 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.401 ' HG3' ' OE1' ' B' ' 630' ' ' GLN . 6.2 mttp -70.77 -32.11 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . 0.494 HH12 ' HB3' ' C' ' 628' ' ' ASP . 0.1 OUTLIER -65.53 -44.47 86.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.953 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.52 -39.36 88.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 111.935 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.642 ' O ' HD12 ' C' ' 638' ' ' LEU . 6.9 mt -63.57 -38.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.098 179.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -44.73 87.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -33.05 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 638' ' ' LEU . 1.2 mt -65.99 -40.44 91.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.781 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.642 HD12 ' O ' ' C' ' 634' ' ' ILE . 1.5 mt -64.8 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.749 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -38.51 89.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.721 ' HG2' HD22 ' A' ' 641' ' ' LEU . 65.8 tt0 -65.58 -42.91 91.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.5 OUTLIER -63.82 -43.52 96.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.745 179.574 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -34.27 76.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.522 -179.382 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.417 ' O ' HG13 ' C' ' 647' ' ' ILE . 0.0 OUTLIER -66.25 -42.68 88.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.224 179.282 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.595 ' HG2' ' HD3' ' A' ' 648' ' ' ARG . 11.0 tt0 -72.16 -33.86 68.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -62.55 -43.16 99.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.663 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -41.28 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.231 -179.618 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.7 mt -70.94 -43.95 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.114 0.483 . . . . 0.0 111.253 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.592 ' HD3' ' HG2' ' B' ' 644' ' ' GLU . 9.6 ttp-105 -58.8 -37.65 76.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.022 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.4 -44.89 86.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -61.41 -34.7 75.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.921 ' O ' HG23 ' C' ' 655' ' ' VAL . 19.9 tp -66.0 -36.82 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.446 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.1 OUTLIER -56.28 -43.85 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.191 -179.838 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -40.74 96.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.523 ' O ' HG13 ' C' ' 658' ' ' ILE . 0.4 OUTLIER -65.58 -37.79 87.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.524 179.59 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.921 HG23 ' O ' ' C' ' 651' ' ' LEU . 13.7 t -66.14 -48.03 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 111.24 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.43 -28.68 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.94 -46.86 82.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.716 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.5 mt -71.31 -35.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.662 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -68.76 -44.09 74.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -38.55 91.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.748 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . 0.598 HD11 ' HG ' ' B' ' 662' ' ' LEU . 0.9 OUTLIER -63.65 -27.7 69.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.53 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -39.36 62.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -17.35 54.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' B' ' 615' ' ' GLN . 1.2 t60 -73.08 -44.69 60.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.003 0.43 . . . . 0.0 110.686 179.857 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 26.5 mtt -134.86 135.51 41.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.63 -179.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' B' ' 618' ' ' GLU . 14.6 tt0 -78.54 -8.6 58.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.696 -179.716 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.99 22.71 6.77 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.742 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.574 ' HA ' ' HB ' ' B' ' 614' ' ' THR . 0.0 OUTLIER 61.12 55.93 3.34 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 110.591 -0.152 . . . . 0.0 110.591 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.461 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 93.4 Cg_endo -86.83 -5.38 7.93 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.623 2.215 . . . . 0.0 112.984 -179.529 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.72 ' HD2' ' HB3' ' B' ' 613' ' ' ARG . 0.1 OUTLIER -122.8 135.62 54.6 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.044 0.449 . . . . 0.0 111.441 -179.798 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.432 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 24.1 ttt -105.62 156.12 18.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.626 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.407 ' HB3' ' HE ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -88.62 106.16 11.94 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.944 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 599' ' ' MET . 67.4 Cg_endo -72.17 -21.65 23.37 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.474 2.116 . . . . 0.0 112.37 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 608' ' ' ALA . . . -69.81 124.17 23.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.395 -179.757 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.88 86.49 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.4 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.46 148.61 24.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.215 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.615 ' O ' HG23 ' A' ' 609' ' ' VAL . 58.2 m -68.68 -41.04 79.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -65.61 -44.07 87.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.85 -43.7 90.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.644 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -63.36 -32.04 73.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.416 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.65 HG11 ' HB1' ' C' ' 608' ' ' ALA . 83.1 t -65.75 -35.47 75.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.563 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.3 OUTLIER -61.1 -32.49 72.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 111.838 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.73 -39.82 91.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.442 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.524 ' HB3' ' HG ' ' C' ' 612' ' ' LEU . 2.2 mm? -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.102 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.706 ' HB3' ' HD2' ' C' ' 598' ' ' LYS . 5.1 mtt180 -59.25 -45.46 91.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.586 ' HB ' ' HA ' ' C' ' 596' ' ' LYS . 3.4 t -71.05 -37.4 72.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.608 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' C' ' 592' ' ' HIS . 32.9 mt-30 -62.41 -50.65 70.66 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 111.123 -179.409 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 612' ' ' LEU . 30.3 m -63.39 -43.59 98.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.415 ' N ' HG23 ' A' ' 616' ' ' VAL . 1.5 tpp180 -56.42 -52.12 65.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.389 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 10.4 tp10 -64.58 -33.65 76.42 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 179.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.83 -48.31 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 623' ' ' ILE . 0.6 OUTLIER -62.02 -41.02 97.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.907 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -62.0 -34.47 76.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.66 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.98 -45.75 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.603 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 620' ' ' ARG . 2.0 mt -67.51 -34.19 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.98 -52.77 54.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 -179.38 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.25 -38.44 90.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.013 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.56 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 4.1 mtt -60.6 -44.15 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.57 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 0.1 OUTLIER -67.72 -35.93 79.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . 0.544 ' HB3' ' NH2' ' A' ' 632' ' ' ARG . 0.7 OUTLIER -67.24 -40.48 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.004 -179.814 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.447 ' HB3' ' HZ1' ' B' ' 627' ' ' LYS . 0.5 OUTLIER -66.48 -46.13 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.538 ' OE1' ' HA ' ' A' ' 630' ' ' GLN . 0.4 OUTLIER -64.89 -37.99 89.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.804 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 1.8 tttp -61.02 -41.3 96.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . 0.544 ' NH2' ' HB3' ' A' ' 628' ' ' ASP . 6.3 mtm180 -64.18 -37.61 88.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.98 179.669 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' B' ' 634' ' ' ILE . 3.6 mt-10 -63.27 -41.66 99.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.065 0.46 . . . . 0.0 111.891 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.632 HG23 HD12 ' C' ' 637' ' ' LEU . 61.6 mt -67.79 -47.64 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.101 179.242 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -52.8 -49.04 66.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.444 -179.541 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -39.94 78.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.921 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.624 HD12 HG23 ' B' ' 634' ' ' ILE . 1.0 OUTLIER -62.93 -35.39 79.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.688 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -40.87 96.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.31 -36.11 78.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.39 -40.17 89.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.011 0.434 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -43.74 86.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.746 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.02 -39.8 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.484 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 647' ' ' ILE . 3.1 tp10 -60.69 -41.58 95.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.203 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.486 ' HG3' ' HE2' ' B' ' 645' ' ' LYS . 0.3 OUTLIER -65.35 -32.92 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.856 179.88 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.482 ' HE2' ' HG3' ' C' ' 644' ' ' GLU . 18.1 mmtt -65.73 -36.77 84.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.27 -48.41 73.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 643' ' ' GLU . 0.9 OUTLIER -64.96 -40.2 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.065 0.46 . . . . 0.0 111.211 -179.656 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.486 ' HE ' HE22 ' A' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.09 90.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -43.58 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -63.32 -34.81 78.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.687 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' B' ' 652' ' ' GLN . 13.7 tp -64.05 -44.87 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.799 ' HG3' HD13 ' C' ' 651' ' ' LEU . 0.0 OUTLIER -53.58 -41.83 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 -179.764 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.76 -40.64 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.302 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.96 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.59 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 651' ' ' LEU . 60.1 t -60.07 -46.96 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.14 -179.548 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.71 -29.08 69.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.32 -46.5 76.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 654' ' ' GLU . 2.4 mt -67.09 -38.59 81.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.726 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.06 -41.82 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.8 -35.82 80.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.83 76.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.328 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -27.88 68.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.54 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.84 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.3 m -74.47 -63.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.076 -179.975 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . 0.495 ' O ' ' HG2' ' C' ' 615' ' ' GLN . 1.2 t60 -73.16 -44.6 59.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.98 0.419 . . . . 0.0 110.689 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 26.5 mtt -134.86 135.49 41.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.658 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' C' ' 618' ' ' GLU . 14.6 tt0 -78.57 -8.54 58.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.711 -179.772 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.94 22.83 6.72 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.764 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.592 ' HA ' ' HB ' ' C' ' 614' ' ' THR . 0.0 OUTLIER 61.1 55.87 3.35 Favored Pre-proline 0 CA--C 1.532 0.277 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 179.833 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' B' ' 596' ' ' LYS . 93.8 Cg_endo -86.83 -5.35 7.93 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.647 2.231 . . . . 0.0 112.95 -179.469 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.709 ' HD2' ' HB3' ' C' ' 613' ' ' ARG . 0.1 OUTLIER -122.87 135.75 54.62 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.078 0.466 . . . . 0.0 111.394 -179.839 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.435 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 24.0 ttt -105.67 156.02 18.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.57 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.408 ' HB3' ' HE ' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -88.62 106.12 11.84 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.984 179.885 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' B' ' 599' ' ' MET . 67.8 Cg_endo -72.11 -21.65 23.59 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.492 2.128 . . . . 0.0 112.45 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' B' ' 608' ' ' ALA . . . -69.75 124.22 23.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.447 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.75 85.86 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.352 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.54 148.51 24.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.226 -179.7 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.627 ' O ' HG23 ' B' ' 609' ' ' VAL . 58.3 m -68.61 -41.09 80.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.858 -179.767 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -65.65 -44.01 87.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.79 90.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -63.32 -31.98 73.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.739 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.644 HG11 ' HB1' ' A' ' 608' ' ' ALA . 83.0 t -65.82 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 -179.479 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.565 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.3 OUTLIER -61.2 -32.62 72.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.167 0.508 . . . . 0.0 111.764 179.651 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.51 -39.92 92.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 2.2 mm? -71.03 -33.79 70.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.72 ' HB3' ' HD2' ' A' ' 598' ' ' LYS . 5.1 mtt180 -59.3 -45.48 91.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.013 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.574 ' HB ' ' HA ' ' A' ' 596' ' ' LYS . 3.4 t -71.11 -37.25 72.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.664 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 592' ' ' HIS . 33.0 mt-30 -62.46 -50.71 70.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.997 0.427 . . . . 0.0 111.171 -179.531 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.448 HG22 ' O ' ' B' ' 612' ' ' LEU . 30.2 m -63.3 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.416 ' N ' HG23 ' B' ' 616' ' ' VAL . 1.5 tpp180 -56.41 -52.19 65.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.277 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 10.4 tp10 -64.55 -33.6 76.29 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 179.693 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' C' ' 619' ' ' LEU . 0.3 OUTLIER -55.84 -48.33 75.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' B' ' 623' ' ' ILE . 0.6 OUTLIER -62.08 -40.97 97.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.99 -34.44 76.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.02 -45.7 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.636 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' B' ' 620' ' ' ARG . 2.0 mt -67.6 -34.09 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.09 -52.7 54.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.387 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.35 -38.39 89.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.957 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.562 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 4.2 mtt -60.58 -44.14 96.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.56 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 0.1 OUTLIER -67.79 -35.89 79.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.048 -179.839 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . 0.546 ' HB3' ' NH2' ' B' ' 632' ' ' ARG . 0.7 OUTLIER -67.34 -40.36 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.027 -179.781 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.482 ' HB3' ' HZ1' ' C' ' 627' ' ' LYS . 0.4 OUTLIER -66.5 -46.09 77.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 179.669 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.548 ' HA ' ' OE1' ' B' ' 630' ' ' GLN . 0.4 OUTLIER -65.01 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.729 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.402 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 1.8 tttp -61.07 -41.25 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.546 ' NH2' ' HB3' ' B' ' 628' ' ' ASP . 6.3 mtm180 -64.12 -37.68 88.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.983 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.5 ' HB2' HD13 ' C' ' 634' ' ' ILE . 3.6 mt-10 -63.26 -41.64 99.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.025 0.44 . . . . 0.0 111.882 -179.012 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.624 HG23 HD12 ' A' ' 637' ' ' LEU . 61.5 mt -67.76 -47.61 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.083 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -52.95 -49.01 66.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.405 -179.434 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -39.96 78.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.648 HD12 HG23 ' C' ' 634' ' ' ILE . 1.0 OUTLIER -62.91 -35.33 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.598 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -40.86 95.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.179 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 2.5 t -68.34 -35.97 78.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.79 179.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.5 -40.23 89.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.999 0.428 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.735 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.93 -39.82 86.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.528 -179.363 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.544 ' O ' HG13 ' B' ' 647' ' ' ILE . 3.1 tp10 -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.233 179.256 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.493 ' HG3' ' HE2' ' C' ' 645' ' ' LYS . 0.3 OUTLIER -65.33 -32.92 74.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.486 ' HE2' ' HG3' ' A' ' 644' ' ' GLU . 18.2 mmtt -65.72 -36.71 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.35 -48.37 73.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 643' ' ' GLU . 0.9 OUTLIER -64.95 -40.27 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.16 -179.651 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.479 ' HE ' HE22 ' B' ' 652' ' ' GLN . 9.6 ttp-105 -63.79 -45.26 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -43.57 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.83 78.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.802 HD13 ' HG3' ' C' ' 652' ' ' GLN . 13.7 tp -64.09 -44.84 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.76 ' HG3' HD13 ' A' ' 651' ' ' LEU . 0.0 OUTLIER -53.56 -41.84 66.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.184 -179.824 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -40.7 93.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.337 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . 0.481 ' O ' HG13 ' B' ' 658' ' ' ILE . 32.2 tt0 -67.55 -41.99 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.551 179.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 651' ' ' LEU . 60.2 t -60.02 -46.9 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 111.21 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.72 -29.11 69.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -66.28 -46.51 76.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.694 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 654' ' ' GLU . 2.4 mt -67.19 -38.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.633 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.09 -41.76 90.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.79 -35.83 80.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.87 76.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.363 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.93 68.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.6 -27.88 31.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 15.4 m -74.39 -63.66 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' A' ' 615' ' ' GLN . 1.2 t60 -73.3 -44.58 58.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.36 . . . . 0.0 110.573 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 26.6 mtt -134.85 135.44 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.636 -179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 618' ' ' GLU . 14.6 tt0 -78.49 -8.63 58.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.705 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 108.93 22.78 6.75 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.832 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.586 ' HA ' ' HB ' ' A' ' 614' ' ' THR . 0.0 OUTLIER 61.1 55.95 3.36 Favored Pre-proline 0 CA--C 1.532 0.269 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 179.84 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.462 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 92.4 Cg_endo -86.85 -5.4 7.91 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.589 2.193 . . . . 0.0 112.971 -179.538 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.706 ' HD2' ' HB3' ' A' ' 613' ' ' ARG . 0.1 OUTLIER -122.83 135.65 54.6 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.087 0.47 . . . . 0.0 111.431 -179.807 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.424 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 24.0 ttt -105.65 156.11 18.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.571 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.41 ' HB3' ' HE ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -88.62 106.21 12.09 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.965 179.904 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' C' ' 599' ' ' MET . 67.7 Cg_endo -72.19 -21.69 23.25 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.462 2.108 . . . . 0.0 112.353 -179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' C' ' 608' ' ' ALA . . . -69.79 124.15 23.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.435 -179.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.79 86.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.47 148.58 24.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.624 ' O ' HG23 ' C' ' 609' ' ' VAL . 58.3 m -68.65 -41.05 79.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -65.78 -43.92 87.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.7 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.65 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -63.32 -32.01 73.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.405 -179.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.651 HG11 ' HB1' ' B' ' 608' ' ' ALA . 82.9 t -65.73 -35.5 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.554 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.548 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.3 OUTLIER -61.13 -32.56 72.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.073 0.463 . . . . 0.0 111.79 179.605 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.64 -39.87 91.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.47 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.527 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 2.2 mm? -70.99 -33.91 70.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.709 ' HB3' ' HD2' ' B' ' 598' ' ' LYS . 5.2 mtt180 -59.26 -45.45 91.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.027 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.592 ' HB ' ' HA ' ' B' ' 596' ' ' LYS . 3.4 t -71.06 -37.36 72.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.652 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 592' ' ' HIS . 33.0 mt-30 -62.43 -50.73 70.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.44 HG22 ' O ' ' C' ' 612' ' ' LEU . 30.1 m -63.21 -43.7 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.409 ' N ' HG23 ' C' ' 616' ' ' VAL . 1.5 tpp180 -56.39 -52.16 65.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 10.4 tp10 -64.57 -33.62 76.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.978 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.439 ' HB3' HD22 ' B' ' 619' ' ' LEU . 0.3 OUTLIER -55.89 -48.28 75.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.986 -179.837 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' C' ' 623' ' ' ILE . 0.6 OUTLIER -61.97 -41.03 97.56 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.862 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -61.97 -34.52 76.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.592 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . . . . . . . . . 50.3 mt -69.0 -45.73 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' C' ' 620' ' ' ARG . 2.0 mt -67.54 -34.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.02 -52.74 54.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.253 -179.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 2.7 p -65.29 -38.36 90.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.02 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.57 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 4.2 mtt -60.6 -44.14 96.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 0.1 OUTLIER -67.72 -35.98 79.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 -179.87 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . 0.549 ' HB3' ' NH2' ' C' ' 632' ' ' ARG . 0.7 OUTLIER -67.26 -40.36 86.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -179.803 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.4 ' HB3' ' HZ1' ' A' ' 627' ' ' LYS . 0.4 OUTLIER -66.52 -46.14 77.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.774 179.694 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.4 OUTLIER -64.96 -37.93 89.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.001 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 1.8 tttp -61.08 -41.28 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . 0.549 ' NH2' ' HB3' ' C' ' 628' ' ' ASP . 6.3 mtm180 -64.15 -37.66 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.998 179.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.515 ' HB2' HD13 ' A' ' 634' ' ' ILE . 3.6 mt-10 -63.24 -41.67 99.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.067 0.46 . . . . 0.0 111.909 -179.027 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.648 HG23 HD12 ' B' ' 637' ' ' LEU . 61.5 mt -67.76 -47.6 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.129 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -52.89 -48.99 66.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.442 -179.535 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -39.82 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.995 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 634' ' ' ILE . 1.0 OUTLIER -63.04 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.755 179.584 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -40.82 95.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.115 -179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 2.4 t -68.29 -36.07 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.45 -40.1 89.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -43.65 86.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.789 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.13 -39.71 87.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.473 -179.323 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . 0.541 ' O ' HG13 ' C' ' 647' ' ' ILE . 3.1 tp10 -60.71 -41.61 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.173 179.266 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.482 ' HG3' ' HE2' ' A' ' 645' ' ' LYS . 0.3 OUTLIER -65.25 -32.95 74.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.903 179.859 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.493 ' HE2' ' HG3' ' B' ' 644' ' ' GLU . 18.1 mmtt -65.74 -36.71 84.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -65.3 -48.34 73.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.289 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.541 HG13 ' O ' ' C' ' 643' ' ' GLU . 0.9 OUTLIER -64.94 -40.22 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 121.119 0.485 . . . . 0.0 111.215 -179.674 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.471 ' HE ' HE22 ' C' ' 652' ' ' GLN . 9.6 ttp-105 -63.88 -45.2 90.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.048 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -43.57 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.743 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -63.28 -34.82 78.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.713 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.799 HD13 ' HG3' ' A' ' 652' ' ' GLN . 13.8 tp -64.07 -44.92 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.74 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.802 ' HG3' HD13 ' B' ' 651' ' ' LEU . 0.0 OUTLIER -53.51 -41.8 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 -179.796 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -40.64 93.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 -179.71 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . 0.481 ' O ' HG13 ' C' ' 658' ' ' ILE . 32.3 tt0 -67.55 -42.03 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.454 HG23 ' O ' ' C' ' 651' ' ' LEU . 60.2 t -59.95 -46.9 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.999 0.428 . . . . 0.0 111.24 -179.578 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.81 -29.09 69.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.23 -46.54 76.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.712 179.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.481 HG13 ' O ' ' C' ' 654' ' ' GLU . 2.4 mt -67.18 -38.56 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.681 -179.657 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -66.14 -41.71 90.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.323 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.85 -35.81 80.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.86 76.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -27.89 68.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.67 -27.82 31.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 15.5 m -74.4 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -48.94 45.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . 0.498 ' HG3' HE21 ' B' ' 615' ' ' GLN . 24.2 mtt -124.3 118.32 26.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.553 -179.498 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' B' ' 618' ' ' GLU . 34.4 tt0 -67.73 -43.73 79.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.682 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 149.23 35.79 0.04 OUTLIER Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.769 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 597' ' ' PRO . 0.0 OUTLIER 47.23 53.03 13.23 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 179.859 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 596' ' ' LYS . 91.8 Cg_endo -87.08 -31.42 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.596 2.197 . . . . 0.0 113.069 -179.649 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.563 ' NZ ' ' HD3' ' B' ' 617' ' ' ARG . 1.7 ttmp? -93.0 113.62 25.95 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.035 0.445 . . . . 0.0 111.423 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 1.1 ttt -90.24 158.44 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.464 ' HA ' ' CZ ' ' B' ' 613' ' ' ARG . 3.7 pt-20 -91.41 110.51 43.36 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.968 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.77 -20.6 17.29 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.484 2.123 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 607' ' ' ALA . . . -73.22 130.08 39.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.425 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.22 87.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.04 0.448 . . . . 0.0 111.323 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.72 144.49 27.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.6 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m -63.87 -34.55 78.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.924 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -63.62 -46.83 83.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.554 ' HB3' ' HB1' ' A' ' 602' ' ' ALA . . . -61.45 -35.13 76.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -64.87 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.445 -179.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 1.038 HG11 ' HB1' ' C' ' 608' ' ' ALA . 85.0 t -68.8 -38.36 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.553 -179.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.503 ' HA ' ' HG3' ' A' ' 613' ' ' ARG . 0.9 OUTLIER -55.26 -48.84 73.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 179.706 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 614' ' ' THR . 4.0 mt-10 -59.71 -34.03 72.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.381 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.668 HD21 ' HG2' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -70.26 -32.43 70.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.129 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.653 ' HG2' HD21 ' C' ' 612' ' ' LEU . 4.4 mtt180 -61.85 -46.24 90.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.454 ' HB ' ' HA ' ' C' ' 596' ' ' LYS . 1.5 t -64.6 -32.08 73.58 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.652 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.495 HE21 ' HG3' ' C' ' 593' ' ' MET . 2.0 mm-40 -68.02 -46.43 71.22 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.05 0.453 . . . . 0.0 111.157 -179.438 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.562 ' HB ' HH22 ' A' ' 620' ' ' ARG . 5.9 m -64.96 -39.98 87.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.568 ' HD3' ' HZ1' ' C' ' 598' ' ' LYS . 0.1 OUTLIER -62.88 -54.8 33.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.738 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 9.5 tp10 -58.57 -39.4 80.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 179.735 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.586 ' HA ' HD12 ' A' ' 622' ' ' ILE . 19.1 mt -56.18 -43.38 78.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.562 HH22 ' HB ' ' A' ' 616' ' ' VAL . 3.4 ttm105 -66.5 -32.78 74.35 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.04 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.04 -33.03 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 619' ' ' LEU . 64.7 mt -64.7 -49.42 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.613 -179.673 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 620' ' ' ARG . 1.3 mt -61.39 -36.42 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.21 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.357 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.18 87.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.051 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.531 ' HG2' ' HE2' ' B' ' 627' ' ' LYS . 29.9 mtt -68.87 -35.53 77.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.809 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' C' ' 626' ' ' MET . 3.1 tmtm? -65.28 -37.37 86.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.57 -39.56 67.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 633' ' ' GLU . 0.0 OUTLIER -64.74 -41.86 95.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.794 179.684 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -43.84 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 635' ' ' LYS . 2.5 mttp -64.76 -34.53 78.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -62.05 -39.39 92.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.983 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 629' ' ' GLN . 25.4 mt-10 -72.45 -44.14 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.461 . . . . 0.0 111.904 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.32 -42.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.079 179.28 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . 0.513 ' HD2' ' O ' ' A' ' 631' ' ' LYS . 0.0 OUTLIER -63.52 -40.96 98.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.527 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -37.49 80.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' B' ' 638' ' ' LEU . 6.5 mt -68.32 -33.48 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.766 179.63 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.631 ' HA ' HD21 ' C' ' 637' ' ' LEU . 0.1 OUTLIER -63.37 -46.8 84.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.729 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -33.35 75.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.606 ' HB3' HD13 ' B' ' 641' ' ' LEU . 13.5 tt0 -66.81 -44.1 82.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.053 0.454 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' C' ' 640' ' ' GLU . 1.0 OUTLIER -65.97 -32.48 73.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.742 179.579 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.45 -44.84 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.69 -45.87 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.271 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 648' ' ' ARG . 0.3 OUTLIER -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 179.895 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.483 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 17.1 mmtt -64.08 -44.08 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -45.0 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.45 -38.77 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.026 0.441 . . . . 0.0 111.175 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 644' ' ' GLU . 0.0 OUTLIER -65.86 -40.06 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.009 -179.789 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -37.92 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.41 91.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.892 ' O ' HG23 ' A' ' 655' ' ' VAL . 9.9 tp -60.9 -40.46 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.425 ' OE1' HD22 ' C' ' 651' ' ' LEU . 0.6 OUTLIER -59.59 -42.13 91.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.122 -179.8 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -45.16 93.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.275 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.04 -42.9 99.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.536 179.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 651' ' ' LEU . 16.2 t -65.23 -40.97 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.148 -179.443 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -60.96 -41.08 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.02 -46.37 81.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.6 HD11 ' HD2' ' B' ' 659' ' ' LYS . 9.1 mt -61.13 -43.88 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.68 -179.689 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.595 ' HD2' HD11 ' C' ' 658' ' ' ILE . 10.1 tttt -67.09 -36.54 82.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -41.19 91.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.761 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.54 90.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.332 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -29.76 69.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.42 -29.6 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.05 -66.78 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -48.92 43.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.676 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . 0.489 ' HG3' HE21 ' C' ' 615' ' ' GLN . 24.2 mtt -124.33 118.37 26.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.549 -179.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.7 ' HB2' ' HB2' ' C' ' 618' ' ' GLU . 34.4 tt0 -67.74 -43.7 79.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.727 -179.752 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 149.29 35.74 0.04 OUTLIER Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.78 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.508 ' N ' ' HD3' ' B' ' 597' ' ' PRO . 0.0 OUTLIER 47.27 53.1 13.36 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 179.898 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' B' ' 596' ' ' LYS . 92.3 Cg_endo -87.16 -31.38 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.545 2.163 . . . . 0.0 113.062 -179.6 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.555 ' NZ ' ' HD3' ' C' ' 617' ' ' ARG . 1.7 ttmp? -92.96 113.63 25.96 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.043 0.449 . . . . 0.0 111.405 -179.832 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 1.1 ttt -90.29 158.47 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.542 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.452 ' HA ' ' CZ ' ' C' ' 613' ' ' ARG . 3.7 pt-20 -91.43 110.53 43.57 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.79 -20.62 17.2 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.466 2.111 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' B' ' 607' ' ' ALA . . . -73.29 130.11 39.48 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.387 -179.82 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.26 87.67 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.299 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.72 144.47 27.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -179.617 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 43.5 m -63.8 -34.61 78.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.58 -46.9 83.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.563 ' HB3' ' HB1' ' B' ' 602' ' ' ALA . . . -61.43 -35.13 76.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 1.011 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -64.78 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.473 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 608' ' ' ALA . 85.7 t -68.76 -38.32 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.69 -179.595 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.49 ' HA ' ' HG3' ' B' ' 613' ' ' ARG . 0.9 OUTLIER -55.18 -48.84 73.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.209 0.528 . . . . 0.0 111.799 179.594 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.419 ' O ' ' CG2' ' B' ' 614' ' ' THR . 4.0 mt-10 -59.74 -34.08 72.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.433 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.683 HD21 ' HG2' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -70.32 -32.35 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.04 -179.715 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.668 ' HG2' HD21 ' A' ' 612' ' ' LEU . 4.4 mtt180 -61.92 -46.29 89.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.956 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.457 ' HB ' ' HA ' ' A' ' 596' ' ' LYS . 1.5 t -64.59 -32.14 73.66 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.659 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.498 HE21 ' HG3' ' A' ' 593' ' ' MET . 2.0 mm-40 -67.87 -46.46 71.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -179.522 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . 0.555 ' HB ' HH22 ' B' ' 620' ' ' ARG . 6.0 m -64.94 -40.01 87.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.563 ' HD3' ' NZ ' ' A' ' 598' ' ' LYS . 0.1 OUTLIER -62.86 -54.82 32.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.296 -179.745 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 9.4 tp10 -58.5 -39.43 80.04 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' B' ' 622' ' ' ILE . 19.1 mt -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.007 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.555 HH22 ' HB ' ' B' ' 616' ' ' VAL . 3.4 ttm105 -66.6 -32.81 74.38 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 8.5 m -73.06 -33.02 65.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' B' ' 619' ' ' LEU . 64.5 mt -64.67 -49.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.643 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 620' ' ' ARG . 1.3 mt -61.38 -36.38 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.238 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.79 -45.0 79.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -179.418 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -42.13 86.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.028 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.509 ' HG2' ' HE2' ' C' ' 627' ' ' LYS . 29.9 mtt -68.95 -35.45 76.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 626' ' ' MET . 3.1 tmtm? -65.3 -37.37 86.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.59 -39.62 67.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.057 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' B' ' 633' ' ' GLU . 0.0 OUTLIER -64.67 -41.95 95.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.794 179.702 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -66.45 -44.08 83.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' B' ' 635' ' ' LYS . 2.5 mttp -64.61 -34.59 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -62.03 -39.3 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.013 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 629' ' ' GLN . 25.5 mt-10 -72.6 -44.11 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 111.852 -178.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.24 -42.36 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.13 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' B' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.476 -179.595 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -37.56 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.965 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' C' ' 638' ' ' LEU . 6.4 mt -68.31 -33.56 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 179.69 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.622 ' HA ' HD21 ' A' ' 637' ' ' LEU . 0.1 OUTLIER -63.25 -46.84 84.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.119 -179.735 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.611 ' HB3' HD13 ' C' ' 641' ' ' LEU . 13.6 tt0 -66.82 -44.14 81.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.008 0.432 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 640' ' ' GLU . 1.0 OUTLIER -65.89 -32.51 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.774 179.534 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 -44.79 77.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.559 -179.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.82 -45.8 93.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.254 179.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' B' ' 648' ' ' ARG . 0.3 OUTLIER -66.17 -32.31 73.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.946 179.83 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 17.1 mmtt -64.04 -44.11 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.88 -44.9 88.16 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.273 -179.662 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.45 -38.74 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.021 0.438 . . . . 0.0 111.243 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' B' ' 644' ' ' GLU . 0.0 OUTLIER -65.82 -40.04 91.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.088 -179.862 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -37.82 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.775 179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.65 -39.47 91.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.632 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.874 ' O ' HG23 ' B' ' 655' ' ' VAL . 9.9 tp -60.89 -40.5 93.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.414 ' OE1' HD22 ' A' ' 651' ' ' LEU . 0.6 OUTLIER -59.51 -42.15 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.167 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -45.13 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.01 -42.93 99.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.874 HG23 ' O ' ' B' ' 651' ' ' LEU . 16.2 t -65.22 -40.97 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 -179.454 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -60.97 -41.18 95.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.86 -46.44 81.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.749 179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' C' ' 659' ' ' LYS . 9.1 mt -61.11 -43.89 97.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.655 -179.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.6 ' HD2' HD11 ' A' ' 658' ' ' ILE . 10.1 tttt -67.11 -36.58 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -41.15 91.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.59 90.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.308 -179.764 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -29.64 69.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.58 37.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.06 -66.75 0.57 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.68 -48.93 44.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.893 0.377 . . . . 0.0 110.697 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . 0.495 ' HG3' HE21 ' A' ' 615' ' ' GLN . 24.4 mtt -124.26 118.31 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.588 -179.579 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' A' ' 618' ' ' GLU . 34.4 tt0 -67.72 -43.7 79.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.735 -179.761 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 149.25 35.8 0.04 OUTLIER Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.695 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' C' ' 597' ' ' PRO . 0.0 OUTLIER 47.25 53.05 13.28 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 110.58 -0.156 . . . . 0.0 110.58 179.824 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' C' ' 596' ' ' LYS . 91.3 Cg_endo -87.12 -31.41 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.595 2.197 . . . . 0.0 113.042 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.568 ' HZ1' ' HD3' ' A' ' 617' ' ' ARG . 1.7 ttmp? -93.01 113.63 25.96 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.057 0.456 . . . . 0.0 111.447 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . . . . . . . . . 1.1 ttt -90.22 158.42 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 3.7 pt-20 -91.43 110.55 43.7 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.963 179.876 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.72 -20.69 17.32 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.486 2.124 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' C' ' 607' ' ' ALA . . . -73.18 130.09 39.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.398 -179.806 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.24 87.47 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.327 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.68 144.44 27.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . . . . . . . . . 43.0 m -63.77 -34.63 78.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -63.56 -46.83 84.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . 0.542 ' HB3' ' HB1' ' C' ' 602' ' ' ALA . . . -61.41 -35.22 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 1.038 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -64.82 -33.64 76.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.497 -179.752 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 1.011 HG11 ' HB1' ' B' ' 608' ' ' ALA . 86.2 t -68.74 -38.36 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . 0.501 ' HA ' ' HG3' ' C' ' 613' ' ' ARG . 0.9 OUTLIER -55.17 -48.94 73.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.13 0.491 . . . . 0.0 111.752 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.418 ' O ' ' CG2' ' C' ' 614' ' ' THR . 4.0 mt-10 -59.64 -34.15 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 609' ' ' VAL . 0.5 OUTLIER -70.25 -32.4 70.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 111.106 -179.78 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.683 ' HG2' HD21 ' B' ' 612' ' ' LEU . 4.4 mtt180 -61.8 -46.26 90.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.031 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.453 ' CG2' ' HG2' ' B' ' 593' ' ' MET . 1.5 t -64.69 -32.09 73.6 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.569 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . 0.489 HE21 ' HG3' ' B' ' 593' ' ' MET . 2.0 mm-40 -67.94 -46.55 71.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 111.104 -179.44 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . 0.563 ' HB ' HH22 ' C' ' 620' ' ' ARG . 6.0 m -64.84 -40.04 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . 0.555 ' HD3' ' NZ ' ' B' ' 598' ' ' LYS . 0.1 OUTLIER -62.87 -54.82 32.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.345 -179.759 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.7 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 9.4 tp10 -58.54 -39.39 80.05 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' C' ' 622' ' ' ILE . 19.1 mt -56.14 -43.48 78.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . 0.563 HH22 ' HB ' ' C' ' 616' ' ' VAL . 3.4 ttm105 -66.51 -32.75 74.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 8.3 m -73.07 -33.03 65.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.609 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' C' ' 619' ' ' LEU . 64.9 mt -64.7 -49.44 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.682 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' C' ' 620' ' ' ARG . 1.3 mt -61.44 -36.39 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.163 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.83 -45.0 79.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.22 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -42.17 87.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.019 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.511 ' HG2' ' HE2' ' A' ' 627' ' ' LYS . 29.9 mtt -68.91 -35.51 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' B' ' 626' ' ' MET . 3.1 tmtm? -65.21 -37.39 87.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.63 -39.57 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.003 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' C' ' 633' ' ' GLU . 0.0 OUTLIER -64.72 -41.94 95.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.808 179.71 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -66.51 -43.98 83.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' C' ' 635' ' ' LYS . 2.5 mttp -64.75 -34.56 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -62.07 -39.3 91.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' C' ' 629' ' ' GLN . 25.4 mt-10 -72.56 -44.04 62.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 111.926 -179.037 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.32 -42.42 83.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.103 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' C' ' 631' ' ' LYS . 0.0 OUTLIER -63.53 -40.95 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.465 -179.552 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.57 80.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 638' ' ' LEU . 6.5 mt -68.23 -33.53 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.618 ' HA ' HD21 ' B' ' 637' ' ' LEU . 0.1 OUTLIER -63.38 -46.76 84.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.148 -179.693 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -33.33 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.597 ' HB3' HD13 ' A' ' 641' ' ' LEU . 13.5 tt0 -66.9 -44.14 81.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.992 0.425 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' B' ' 640' ' ' GLU . 1.0 OUTLIER -65.93 -32.42 73.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.759 179.573 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.54 -44.78 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.503 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.79 -45.81 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 179.274 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' C' ' 648' ' ' ARG . 0.3 OUTLIER -66.2 -32.38 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.851 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.485 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 17.1 mmtt -64.01 -44.09 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.86 -44.94 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 -179.656 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.47 -38.8 77.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.043 0.449 . . . . 0.0 111.229 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' C' ' 644' ' ' GLU . 0.0 OUTLIER -65.79 -40.01 91.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.037 -179.808 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -37.92 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.64 -39.39 91.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.672 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.871 ' O ' HG23 ' C' ' 655' ' ' VAL . 9.9 tp -60.87 -40.53 93.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' B' ' 651' ' ' LEU . 0.6 OUTLIER -59.52 -42.11 91.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.211 -179.809 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -45.05 94.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.336 -179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -62.11 -42.94 99.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.527 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.871 HG23 ' O ' ' C' ' 651' ' ' LEU . 16.0 t -65.09 -41.06 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -61.0 -41.04 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.838 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.03 -46.34 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 179.585 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.595 HD11 ' HD2' ' A' ' 659' ' ' LYS . 9.1 mt -61.17 -43.9 97.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.656 -179.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.593 ' HD2' HD11 ' B' ' 658' ' ' ILE . 10.0 tttt -67.03 -36.55 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -41.24 91.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.57 90.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.304 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -29.75 69.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.47 -29.55 37.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 5.2 m -71.02 -66.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -82.18 -47.86 11.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.591 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 593' ' ' MET . . . . . . . . . . . . . 3.2 mtt -120.2 146.32 46.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.563 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 594' ' ' GLU . . . . . 0.727 ' HB2' ' HB2' ' B' ' 618' ' ' GLU . 27.2 tt0 -101.29 -15.0 17.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.766 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 120.27 33.38 1.04 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.757 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 596' ' ' LYS . . . . . 0.603 ' HA ' ' HB ' ' B' ' 614' ' ' THR . 0.0 OUTLIER 55.76 57.77 10.06 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.626 -0.139 . . . . 0.0 110.626 179.816 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.499 ' HG3' ' HB3' ' A' ' 594' ' ' GLU . 92.9 Cg_endo -86.95 -15.43 3.81 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.553 2.169 . . . . 0.0 113.026 -179.538 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 598' ' ' LYS . . . . . 0.516 ' HB3' ' HB3' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -107.57 152.32 24.43 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.09 0.471 . . . . 0.0 111.401 -179.855 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.444 ' O ' ' HD3' ' A' ' 601' ' ' PRO . 0.7 OUTLIER -131.43 150.64 52.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.566 179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.52 ' HA ' ' CZ ' ' B' ' 613' ' ' ARG . 0.5 OUTLIER -83.35 107.87 11.27 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.98 179.897 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 599' ' ' MET . 66.4 Cg_endo -72.33 -21.74 22.71 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.452 2.101 . . . . 0.0 112.375 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -81.3 135.01 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.367 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -69.23 -44.92 71.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.338 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 3.2 p -78.47 141.02 38.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 609' ' ' VAL . 1.4 m -65.3 -35.17 80.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.949 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.05 -44.13 85.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.47 81.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . 0.54 ' HB1' HG11 ' B' ' 609' ' ' VAL . . . -64.65 -33.95 77.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.714 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 605' ' ' SER . 44.3 t -67.21 -33.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.653 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -38.46 82.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.151 0.5 . . . . 0.0 111.758 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.75 -38.9 92.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 612' ' ' LEU . . . . . 0.64 ' HG ' ' HB3' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.7 -40.6 84.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.118 -179.8 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.616 ' HG2' HD21 ' C' ' 612' ' ' LEU . 6.8 mtt180 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.026 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.611 ' HB ' ' HA ' ' C' ' 596' ' ' LYS . 7.0 t -70.42 -25.78 63.37 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.613 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.84 -47.1 63.99 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.977 0.417 . . . . 0.0 111.192 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.82 -39.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.69 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.324 -179.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' C' ' 594' ' ' GLU . 3.9 tp10 -63.37 -33.5 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 1.009 ' HA ' HD12 ' A' ' 622' ' ' ILE . 2.4 mt -61.38 -45.97 92.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . 0.4 ' HG3' HD21 ' C' ' 619' ' ' LEU . 1.3 mtm105 -61.19 -37.5 83.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 39.1 m -66.03 -35.05 79.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.64 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 1.009 HD12 ' HA ' ' A' ' 619' ' ' LEU . 26.6 mt -60.98 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.63 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 623' ' ' ILE . . . . . 0.669 HD13 HG12 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.94 -33.31 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.236 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.11 -44.22 84.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -42.42 74.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.014 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.464 ' SD ' HG22 ' B' ' 623' ' ' ILE . 14.9 mtt -62.7 -40.63 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.441 ' HG3' ' SD ' ' C' ' 626' ' ' MET . 1.4 tmtm? -67.56 -37.85 83.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 628' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -68.02 -39.21 83.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.72 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 630' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -67.59 -32.88 73.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.951 -179.772 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.22 -41.29 81.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.18 -40.07 93.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.001 179.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 633' ' ' GLU . . . . . 0.773 ' HB3' HG21 ' B' ' 634' ' ' ILE . 14.0 mt-10 -64.85 -42.09 95.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.038 0.447 . . . . 0.0 111.855 -179.059 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.788 HG21 ' HB3' ' C' ' 633' ' ' GLU . 98.1 mt -65.37 -42.14 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.062 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.465 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.8 76.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 637' ' ' LEU . . . . . 0.596 HD12 HG23 ' B' ' 634' ' ' ILE . 0.2 OUTLIER -63.34 -44.58 94.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.723 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.549 ' HG ' ' HG ' ' C' ' 637' ' ' LEU . 1.3 mt -61.64 -36.69 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.731 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -41.92 98.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.796 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.472 ' HG2' ' HE3' ' B' ' 645' ' ' LYS . 31.5 tt0 -65.16 -45.03 86.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.845 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 641' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' C' ' 641' ' ' LEU . 0.3 OUTLIER -59.96 -40.86 90.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.799 179.576 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 642' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.4 -38.66 90.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.504 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.89 -47.99 75.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.267 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 644' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 647' ' ' ILE . 4.3 tt0 -62.54 -35.39 79.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.454 ' HE3' ' HG2' ' C' ' 640' ' ' GLU . 15.0 mmtt -59.69 -49.21 78.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.758 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -44.76 95.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 644' ' ' GLU . 3.9 mt -64.16 -40.95 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 111.179 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 648' ' ' ARG . 0.0 OUTLIER -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.745 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -40.46 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.7 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.76 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.723 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.851 HD11 HG21 ' B' ' 655' ' ' VAL . 11.6 tp -65.28 -38.59 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 652' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' C' ' 651' ' ' LEU . 0.4 OUTLIER -62.83 -38.03 89.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 653' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 653' ' ' MET . 0.4 OUTLIER -59.99 -42.43 94.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.763 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.13 85.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.809 HG21 HD11 ' C' ' 651' ' ' LEU . 78.7 t -62.58 -44.54 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.24 -179.548 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 656' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.91 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.79 83.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.725 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.452 HG22 HG21 ' C' ' 658' ' ' ILE . 17.1 mt -65.47 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.632 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.646 ' HG2' ' NE2' ' A' ' 663' ' ' GLN . 10.6 tttm -64.19 -44.2 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.767 0.318 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.755 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.99 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.308 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -28.49 66.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.592 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . 0.646 ' NE2' ' HG2' ' A' ' 659' ' ' LYS . 13.9 mt-30 -80.11 -33.29 38.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -39.7 80.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.033 -179.999 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.591 -0.204 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 592' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -82.13 -47.9 11.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.954 0.406 . . . . 0.0 110.653 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 593' ' ' MET . . . . . . . . . . . . . 3.2 mtt -120.16 146.32 46.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.567 -179.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 594' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' C' ' 618' ' ' GLU . 27.2 tt0 -101.3 -15.04 17.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.735 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 120.26 33.38 1.04 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.728 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 596' ' ' LYS . . . . . 0.615 ' HA ' ' HB ' ' C' ' 614' ' ' THR . 0.0 OUTLIER 55.76 57.77 10.05 Favored Pre-proline 0 CA--C 1.532 0.252 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 179.783 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 597' ' ' PRO . . . . . 0.492 ' HG3' ' HB3' ' B' ' 594' ' ' GLU . 93.3 Cg_endo -86.95 -15.4 3.81 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.569 2.18 . . . . 0.0 112.996 -179.553 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 598' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' C' ' 613' ' ' ARG . 0.0 OUTLIER -107.58 152.23 24.55 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.056 0.455 . . . . 0.0 111.431 -179.832 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.451 ' O ' ' HD3' ' B' ' 601' ' ' PRO . 0.7 OUTLIER -131.34 150.61 52.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.59 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 600' ' ' GLU . . . . . 0.511 ' HA ' ' CZ ' ' C' ' 613' ' ' ARG . 0.5 OUTLIER -83.39 107.87 11.3 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.92 179.899 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' B' ' 599' ' ' MET . 67.0 Cg_endo -72.24 -21.85 22.88 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.47 2.113 . . . . 0.0 112.427 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 602' ' ' ALA . . . . . . . . . . . . . . . -81.26 134.99 35.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.448 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 603' ' ' ALA . . . . . . . . . . . . . . . -69.16 -44.99 71.13 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.311 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 3.2 p -78.46 140.96 38.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.638 ' O ' HG23 ' B' ' 609' ' ' VAL . 1.4 m -65.23 -35.2 80.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.924 -179.859 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 606' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -65.96 -44.21 85.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.49 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 608' ' ' ALA . . . . . 0.538 ' HB1' HG11 ' C' ' 609' ' ' VAL . . . -64.66 -33.91 77.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.407 -179.739 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 609' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 605' ' ' SER . 44.6 t -67.24 -33.17 61.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.528 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -38.37 82.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 111.8 179.62 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 611' ' ' GLU . . . . . 0.4 ' O ' HG22 ' B' ' 614' ' ' THR . 1.6 mt-10 -64.79 -38.9 92.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.438 179.427 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 612' ' ' LEU . . . . . 0.648 ' HG ' ' HB3' ' C' ' 612' ' ' LEU . 0.9 OUTLIER -67.77 -40.61 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.091 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.609 ' HG2' HD21 ' A' ' 612' ' ' LEU . 6.8 mtt180 -54.64 -46.63 73.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 614' ' ' THR . . . . . 0.603 ' HB ' ' HA ' ' A' ' 596' ' ' LYS . 6.9 t -70.46 -25.78 63.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.607 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.8 -47.19 63.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 111.144 -179.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.81 -39.91 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -58.71 -52.91 63.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.33 -179.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 618' ' ' GLU . . . . . 0.727 ' HB2' ' HB2' ' A' ' 594' ' ' GLU . 3.9 tp10 -63.28 -33.58 75.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.982 179.631 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 619' ' ' LEU . . . . . 0.965 ' HA ' HD12 ' B' ' 622' ' ' ILE . 2.4 mt -61.43 -45.9 92.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.723 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 620' ' ' ARG . . . . . 0.408 ' HG3' HD21 ' A' ' 619' ' ' LEU . 1.3 mtm105 -61.29 -37.43 83.15 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.13 -34.99 79.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 622' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' B' ' 619' ' ' LEU . 26.5 mt -60.95 -47.84 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.654 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 623' ' ' ILE . . . . . 0.658 HG12 HD13 ' C' ' 623' ' ' ILE . 1.0 OUTLIER -63.97 -33.28 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.194 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.15 -44.26 84.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.262 -179.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -42.46 74.31 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.007 179.779 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 626' ' ' MET . . . . . 0.465 ' SD ' HG22 ' C' ' 623' ' ' ILE . 15.0 mtt -62.7 -40.62 97.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.796 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 627' ' ' LYS . . . . . 0.446 ' HG3' ' SD ' ' A' ' 626' ' ' MET . 1.4 tmtm? -67.48 -37.87 83.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.063 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 628' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -67.94 -39.3 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -42.68 85.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 630' ' ' GLN . . . . . 0.428 ' CG ' ' HB3' ' C' ' 630' ' ' GLN . 0.0 OUTLIER -67.63 -32.87 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.755 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 631' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -68.27 -41.24 81.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.2 -40.05 93.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.988 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 633' ' ' GLU . . . . . 0.762 ' HB3' HG21 ' C' ' 634' ' ' ILE . 14.0 mt-10 -64.92 -42.06 95.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.054 0.454 . . . . 0.0 111.859 -178.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 634' ' ' ILE . . . . . 0.773 HG21 ' HB3' ' A' ' 633' ' ' GLU . 97.9 mt -65.36 -42.13 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.096 179.231 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.9 91.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.448 -179.525 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -36.77 76.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.957 179.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 637' ' ' LEU . . . . . 0.599 HD12 HG23 ' C' ' 634' ' ' ILE . 0.2 OUTLIER -63.28 -44.57 94.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.753 179.596 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 638' ' ' LEU . . . . . 0.551 ' HG ' ' HG ' ' A' ' 637' ' ' LEU . 1.3 mt -61.74 -36.55 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -41.97 98.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 640' ' ' GLU . . . . . 0.455 ' HG2' ' HE3' ' C' ' 645' ' ' LYS . 31.5 tt0 -65.07 -45.09 86.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.04 0.448 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.555 ' HA ' HD21 ' C' ' 641' ' ' LEU . 0.3 OUTLIER -59.97 -40.86 90.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.787 179.591 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 642' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.45 -38.59 90.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.468 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.88 -48.04 75.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.251 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.75 ' HA ' HD12 ' B' ' 647' ' ' ILE . 4.3 tt0 -62.42 -35.52 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 645' ' ' LYS . . . . . 0.472 ' HE3' ' HG2' ' A' ' 640' ' ' GLU . 15.0 mmtt -59.61 -49.3 78.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -44.8 94.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 647' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' B' ' 644' ' ' GLU . 3.9 mt -64.18 -40.98 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.039 0.447 . . . . 0.0 111.189 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 648' ' ' ARG . . . . . 0.574 ' CZ ' ' HB3' ' B' ' 648' ' ' ARG . 0.0 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.015 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.68 -35.8 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.855 HD11 HG21 ' C' ' 655' ' ' VAL . 11.7 tp -65.23 -38.67 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.745 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 652' ' ' GLN . . . . . 0.477 ' OE1' ' HB2' ' A' ' 651' ' ' LEU . 0.4 OUTLIER -62.7 -38.18 89.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.144 -179.818 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 653' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' B' ' 653' ' ' MET . 0.4 OUTLIER -59.86 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 111.282 -179.684 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.0 85.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.527 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 655' ' ' VAL . . . . . 0.851 HG21 HD11 ' A' ' 651' ' ' LEU . 82.0 t -62.66 -44.6 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.53 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.77 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 657' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.34 -45.7 83.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.674 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 658' ' ' ILE . . . . . 0.449 HG21 HG22 ' C' ' 658' ' ' ILE . 17.3 mt -65.54 -39.12 84.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.609 -179.631 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 659' ' ' LYS . . . . . 0.647 ' HG2' ' NE2' ' B' ' 663' ' ' GLN . 10.6 tttm -64.17 -44.24 92.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -48.44 81.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.87 76.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.525 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 663' ' ' GLN . . . . . 0.647 ' NE2' ' HG2' ' B' ' 659' ' ' LYS . 14.1 mt-30 -80.06 -33.32 39.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -39.62 80.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.194 -0.907 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 591' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 592' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -82.19 -47.9 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 593' ' ' MET . . . . . . . . . . . . . 3.2 mtt -120.21 146.32 46.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.552 -179.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 594' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 618' ' ' GLU . 27.2 tt0 -101.28 -15.05 17.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.745 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 595' ' ' GLY . . . . . . . . . . . . . . . 120.29 33.23 1.05 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.751 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.611 ' HA ' ' HB ' ' A' ' 614' ' ' THR . 0.0 OUTLIER 55.88 57.76 9.88 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 179.789 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 597' ' ' PRO . . . . . 0.502 ' HG3' ' HB3' ' C' ' 594' ' ' GLU . 92.3 Cg_endo -86.91 -15.47 3.83 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.571 2.18 . . . . 0.0 113.008 -179.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -107.55 152.24 24.52 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.077 0.465 . . . . 0.0 111.441 -179.85 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 599' ' ' MET . . . . . 0.442 ' O ' ' HD3' ' C' ' 601' ' ' PRO . 0.7 OUTLIER -131.4 150.64 52.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.567 179.92 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 600' ' ' GLU . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -83.3 107.83 11.05 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.005 179.918 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 601' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' C' ' 599' ' ' MET . 67.0 Cg_endo -72.24 -21.83 22.92 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.479 2.119 . . . . 0.0 112.37 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 602' ' ' ALA . . . . . . . . . . . . . . . -81.33 135.05 35.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.396 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 603' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.03 71.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 604' ' ' SER . . . . . . . . . . . . . 3.3 p -78.44 141.05 38.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -179.646 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 605' ' ' SER . . . . . 0.633 ' O ' HG23 ' C' ' 609' ' ' VAL . 1.4 m -65.39 -35.1 79.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.972 -179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 606' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -65.97 -44.15 85.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.48 81.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.538 ' HB1' HG11 ' A' ' 609' ' ' VAL . . . -64.63 -33.9 77.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.438 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 609' ' ' VAL . . . . . 0.633 HG23 ' O ' ' C' ' 605' ' ' SER . 44.6 t -67.24 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.629 -179.55 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -38.37 82.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 111.782 179.637 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.424 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.648 ' HB3' ' HG ' ' B' ' 612' ' ' LEU . 0.9 OUTLIER -67.76 -40.63 84.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.078 -179.759 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 613' ' ' ARG . . . . . 0.598 ' HG2' HD21 ' B' ' 612' ' ' LEU . 6.8 mtt180 -54.58 -46.73 73.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 614' ' ' THR . . . . . 0.615 ' HB ' ' HA ' ' B' ' 596' ' ' LYS . 7.0 t -70.33 -25.86 63.5 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 615' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -69.81 -47.1 64.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.208 -179.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 616' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.92 -39.79 86.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.196 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 617' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -58.73 -52.88 63.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.393 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 618' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' B' ' 594' ' ' GLU . 3.9 tp10 -63.35 -33.53 75.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.009 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 619' ' ' LEU . . . . . 0.985 ' HA ' HD12 ' C' ' 622' ' ' ILE . 2.3 mt -61.45 -45.89 92.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 620' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -61.3 -37.33 82.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 621' ' ' SER . . . . . . . . . . . . . 38.9 m -66.22 -34.99 79.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.618 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 622' ' ' ILE . . . . . 0.985 HD12 ' HA ' ' C' ' 619' ' ' LEU . 26.4 mt -60.93 -47.85 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.664 -179.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 623' ' ' ILE . . . . . 0.669 HG12 HD13 ' A' ' 623' ' ' ILE . 0.9 OUTLIER -63.94 -33.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 624' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.03 -44.33 84.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.288 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 625' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -42.46 74.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.939 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 626' ' ' MET . . . . . 0.46 ' SD ' HG22 ' A' ' 623' ' ' ILE . 14.9 mtt -62.64 -40.69 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.809 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 627' ' ' LYS . . . . . 0.447 ' HG3' ' SD ' ' B' ' 626' ' ' MET . 1.4 tmtm? -67.5 -37.85 83.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 628' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.0 -39.18 83.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.022 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 629' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -42.73 85.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.784 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 630' ' ' GLN . . . . . 0.428 ' HB3' ' CG ' ' B' ' 630' ' ' GLN . 0.0 OUTLIER -67.6 -32.9 73.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.746 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 631' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -68.2 -41.28 81.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 632' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.953 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.788 ' HB3' HG21 ' A' ' 634' ' ' ILE . 13.9 mt-10 -64.93 -42.08 94.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.097 0.475 . . . . 0.0 111.871 -178.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 634' ' ' ILE . . . . . 0.762 HG21 ' HB3' ' B' ' 633' ' ' GLU . 97.9 mt -65.37 -42.13 92.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.073 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 635' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -45.92 90.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.441 -179.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 636' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -36.84 76.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 637' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 634' ' ' ILE . 0.2 OUTLIER -63.19 -44.65 94.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.802 179.582 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 638' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 637' ' ' LEU . 1.3 mt -61.67 -36.64 81.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.694 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.747 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 640' ' ' GLU . . . . . 0.454 ' HG2' ' HE3' ' A' ' 645' ' ' LYS . 31.4 tt0 -65.05 -45.08 86.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.069 0.461 . . . . 0.0 110.926 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 641' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' B' ' 641' ' ' LEU . 0.3 OUTLIER -59.94 -40.83 90.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.805 179.529 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 642' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.47 -38.59 90.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.512 -179.382 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 643' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.87 -48.1 75.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.22 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 644' ' ' GLU . . . . . 0.732 ' HA ' HD12 ' C' ' 647' ' ' ILE . 4.4 tt0 -62.44 -35.47 79.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.789 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 645' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' B' ' 640' ' ' GLU . 15.0 mmtt -59.64 -49.3 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 646' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -44.86 94.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 647' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' C' ' 644' ' ' GLU . 3.9 mt -64.21 -40.88 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.034 0.445 . . . . 0.0 111.225 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 648' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' C' ' 648' ' ' ARG . 0.0 OUTLIER -62.5 -42.4 99.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.041 -179.867 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 649' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -40.44 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 650' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.79 -35.7 81.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.711 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.809 HD11 HG21 ' A' ' 655' ' ' VAL . 11.7 tp -65.23 -38.71 91.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.796 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' B' ' 651' ' ' LEU . 0.4 OUTLIER -62.69 -38.14 89.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.231 -179.868 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 653' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' C' ' 653' ' ' MET . 0.4 OUTLIER -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.279 -179.779 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -38.01 85.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.561 179.646 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.855 HG21 HD11 ' B' ' 651' ' ' LEU . 80.9 t -62.63 -44.55 99.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.558 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.88 -34.8 78.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 657' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.2 -45.78 83.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 658' ' ' ILE . . . . . 0.452 HG21 HG22 ' A' ' 658' ' ' ILE . 17.2 mt -65.48 -39.09 84.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.678 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 659' ' ' LYS . . . . . 0.648 ' HG2' ' NE2' ' C' ' 663' ' ' GLN . 10.6 tttm -64.26 -44.18 92.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -48.56 80.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.92 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 662' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -28.43 65.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.593 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 663' ' ' GLN . . . . . 0.648 ' NE2' ' HG2' ' C' ' 659' ' ' LYS . 13.9 mt-30 -80.12 -33.25 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.57 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 665' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.062 -179.988 . . . . . . . . 0 0 . 1 stop_ save_